N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide

C12H19NO2S — CID 97251565

IUPACN-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
SMILESCS[C@@H]1CCC[C@@H](NC(=O)C2CC(=O)C2)C1
InChIInChI=1S/C12H19NO2S/c1-16-11-4-2-3-9(7-11)13-12(15)8-5-10(14)6-8/h8-9,11H,2-7H2,1H3,(H,13,15)/t9-,11-/m1/s1
InChIKeySQBMUVSCGDTBDC-MWLCHTKSSA-N
MW241.36 g/mol
LogP1.76
Rot. Bonds3

About N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide

N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide (PubChem CID 97251565) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
PubChem CID97251565
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
SMILESCS[C@@H]1CCC[C@@H](NC(=O)C2CC(=O)C2)C1
InChIInChI=1S/C12H19NO2S/c1-16-11-4-2-3-9(7-11)13-12(15)8-5-10(14)6-8/h8-9,11H,2-7H2,1H3,(H,13,15)/t9-,11-/m1/s1
InChIKeySQBMUVSCGDTBDC-MWLCHTKSSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119794937
3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 103812491
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 103797414
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
1-cyclobutyl-2-methyl-3-(3-methylsulfanylcyclohexyl)guanidine
CID 119154206
N-(3-methylsulfanylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119329950
1-amino-N-(3-methylsulfanylcyclohexyl)cyclopentane-1-carboxamide
CID 103797407
N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95770973
N-(3-methylsulfanylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 114122906
2-[2-[(3-methylsulfanylcyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104588508
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
CID 119794960
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide (CID 97251565) is N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide is CS[C@@H]1CCC[C@@H](NC(=O)C2CC(=O)C2)C1.
What is the InChIKey of N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is SQBMUVSCGDTBDC-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-16-11-4-2-3-9(7-11)13-12(15)8-5-10(14)6-8/h8-9,11H,2-7H2,1H3,(H,13,15)/t9-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide?
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 97251565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).