N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide

C9H17NOS — CID 57258443

IUPACN,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(S)C1
InChIInChI=1S/C9H17NOS/c1-10(2)9(11)7-4-3-5-8(12)6-7/h7-8,12H,3-6H2,1-2H3
InChIKeyWOVBBLUVTDHTKR-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.56
Rot. Bonds1

About N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide

N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide (PubChem CID 57258443) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
PubChem CID57258443
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(S)C1
InChIInChI=1S/C9H17NOS/c1-10(2)9(11)7-4-3-5-8(12)6-7/h7-8,12H,3-6H2,1-2H3
InChIKeyWOVBBLUVTDHTKR-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

trans-methyl (1S,3S)-3-sulfanylcyclohexane-1-carboxylate
CID 159774506
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409
N,N-dimethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42940625
4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
CID 142585991
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
(1S,3R,4S)-3-amino-N,N-dimethyl-4-(methylamino)cyclohexane-1-carboxamide
CID 135178318
N,N-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxamide
CID 170356993
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379
1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
CID 158969228
(1R,5R,6R,7S)-6-N,6-N,7-N,7-N-tetramethylbicyclo[3.2.2]nonane-6,7-dicarboxamide
CID 98525013
N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide
CID 166238405
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide (CID 57258443) is N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCCC(S)C1.
What is the InChIKey of N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide?
The InChIKey is WOVBBLUVTDHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-10(2)9(11)7-4-3-5-8(12)6-7/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide?
N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide has a molecular weight of 187.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-sulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 57258443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).