(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol

C38H61N5O6S — CID 164604636

About (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol

(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol (PubChem CID 164604636) has the molecular formula C38H61N5O6S and a molecular weight of 716.00 g/mol. Its IUPAC name is (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol.

Molecular Properties

• Compound Name: (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol
• PubChem CID: 164604636
• Molecular Formula: C38H61N5O6S
• Molecular Weight: 716.00 g/mol
• Exact Mass: 715.43
• IUPAC Name: (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol
• SMILES: CC[C@H](NC(=O)[C@@H]1CN(C(=O)c2cncs2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCC[C@H](COC)C1.OCC1CCC2(CCC2)CC1.[H][H]
• InChI: InChI=1S/C28H41N5O5S.C10H18O.H2/c1-5-21(25(36)31-8-6-7-18(11-31)13-38-4)30-23(34)20-12-32(26(37)22-10-29-17-39-22)14-28(20)15-33(16-28)24(35)19-9-27(19,2)3;11-8-9-2-6-10(7-3-9)4-1-5-10;/h10,17-21H,5-9,11-16H2,1-4H3,(H,30,34);9,11H,1-8H2;1H/t18-,19+,20-,21-;;/m0../s1
• InChIKey: LVCDCQLODZXUAS-UUKVLKFBSA-N
• XLogP: 4.45
• TPSA: 132.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	716.00
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol?

The IUPAC name of (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol (CID 164604636) is (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol.

What is the SMILES notation for (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol?

The canonical SMILES for (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol is CC[C@H](NC(=O)[C@@H]1CN(C(=O)c2cncs2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCC[C@H](COC)C1.OCC1CCC2(CCC2)CC1.[H][H].

What is the InChIKey of (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol?

The InChIKey is LVCDCQLODZXUAS-UUKVLKFBSA-N. The full InChI is InChI=1S/C28H41N5O5S.C10H18O.H2/c1-5-21(25(36)31-8-6-7-18(11-31)13-38-4)30-23(34)20-12-32(26(37)22-10-29-17-39-22)14-28(20)15-33(16-28)24(35)19-9-27(19,2)3;11-8-9-2-6-10(7-3-9)4-1-5-10;/h10,17-21H,5-9,11-16H2,1-4H3,(H,30,34);9,11H,1-8H2;1H/t18-,19+,20-,21-;;/m0../s1.

What are the key properties of (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol?

(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol has a molecular weight of 716.00 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S)-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide;molecular hydrogen;spiro[3.5]nonan-7-ylmethanol is sourced from PubChem (CID 164604636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).