(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

C15H19NOS — CID 95788460

IUPAC(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(C1[C@H]2CCC[C@@H]12)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H19NOS/c17-15(14-12-2-1-3-13(12)14)16(11-4-5-11)8-10-6-7-18-9-10/h6-7,9,11-14H,1-5,8H2/t12-,13+,14?
InChIKeyPUPHGWKRSRKGDK-PBWFPOADSA-N
MW261.39 g/mol
LogP3.29
Rot. Bonds4

About (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 95788460) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID95788460
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(C1[C@H]2CCC[C@@H]12)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H19NOS/c17-15(14-12-2-1-3-13(12)14)16(11-4-5-11)8-10-6-7-18-9-10/h6-7,9,11-14H,1-5,8H2/t12-,13+,14?
InChIKeyPUPHGWKRSRKGDK-PBWFPOADSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61214082
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 95788460) is (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(C1[C@H]2CCC[C@@H]12)N(Cc1ccsc1)C1CC1.
What is the InChIKey of (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is PUPHGWKRSRKGDK-PBWFPOADSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(14-12-2-1-3-13(12)14)16(11-4-5-11)8-10-6-7-18-9-10/h6-7,9,11-14H,1-5,8H2/t12-,13+,14?.
What are the key properties of (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 261.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 95788460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).