(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H28N2O2S — CID 97375300

About (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97375300) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 97375300
• Molecular Formula: C19H28N2O2S
• Molecular Weight: 348.51 g/mol
• Exact Mass: 348.19
• IUPAC Name: (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: Cc1ccc(CN2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)s1
• InChI: InChI=1S/C19H28N2O2S/c1-14-2-5-16(24-14)11-21-12-17(18(22)20-10-15-3-4-15)19(13-21)6-8-23-9-7-19/h2,5,15,17H,3-4,6-13H2,1H3,(H,20,22)/t17-/m0/s1
• InChIKey: OPVIFBSVMAENJW-KRWDZBQOSA-N
• XLogP: 2.81
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.51
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97375300) is (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(CN2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)s1.

What is the InChIKey of (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is OPVIFBSVMAENJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-2-5-16(24-14)11-21-12-17(18(22)20-10-15-3-4-15)19(13-21)6-8-23-9-7-19/h2,5,15,17H,3-4,6-13H2,1H3,(H,20,22)/t17-/m0/s1.

What are the key properties of (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).