(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C19H27N3O2S — CID 97493408

IUPAC(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C19H27N3O2S/c23-17(20-12-15-7-4-10-25-15)16-11-19(16)8-9-22(13-19)18(24)21-14-5-2-1-3-6-14/h4,7,10,14,16H,1-3,5-6,8-9,11-13H2,(H,20,23)(H,21,24)/t16-,19-/m1/s1
InChIKeyHZFYHYCEQZABKW-VQIMIIECSA-N
MW361.51 g/mol
LogP3.12
Rot. Bonds4

About (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 97493408) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
PubChem CID97493408
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C19H27N3O2S/c23-17(20-12-15-7-4-10-25-15)16-11-19(16)8-9-22(13-19)18(24)21-14-5-2-1-3-6-14/h4,7,10,14,16H,1-3,5-6,8-9,11-13H2,(H,20,23)(H,21,24)/t16-,19-/m1/s1
InChIKeyHZFYHYCEQZABKW-VQIMIIECSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-5-(cyclopentanecarbonyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493399
(2S,3S)-5-N,5-N-dimethyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493385
(2R,3S)-5-(3-methylbutanoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493377
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493354
(2R,3S)-5-[2-(4-methylphenyl)acetyl]-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493321
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
(2R)-6-(3-phenylprop-2-ynoyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125170674
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 131642758
(5R,9S)-2-[(3-methylimidazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897798

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The IUPAC name of (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 97493408) is (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.
What is the SMILES notation for (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The canonical SMILES for (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is O=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCCC1)C2.
What is the InChIKey of (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The InChIKey is HZFYHYCEQZABKW-VQIMIIECSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17(20-12-15-7-4-10-25-15)16-11-19(16)8-9-22(13-19)18(24)21-14-5-2-1-3-6-14/h4,7,10,14,16H,1-3,5-6,8-9,11-13H2,(H,20,23)(H,21,24)/t16-,19-/m1/s1.
What are the key properties of (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 97493408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).