3-(3-methylcyclohexyl)sulfanylpropanamide

C10H19NOS — CID 62721555

IUPAC3-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SCCC(N)=O)C1
InChIInChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyKGDZQASVQDANGX-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.17
Rot. Bonds4

About 3-(3-methylcyclohexyl)sulfanylpropanamide

3-(3-methylcyclohexyl)sulfanylpropanamide (PubChem CID 62721555) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)sulfanylpropanamide
PubChem CID62721555
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SCCC(N)=O)C1
InChIInChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyKGDZQASVQDANGX-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948517
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
2-ethoxy-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 55180912
3-(3-aminocyclohexyl)sulfanylpropanoic acid
CID 163221540
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 62721377
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 63921241
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
ethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoate
CID 62720491

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)sulfanylpropanamide?
The IUPAC name of 3-(3-methylcyclohexyl)sulfanylpropanamide (CID 62721555) is 3-(3-methylcyclohexyl)sulfanylpropanamide.
What is the SMILES notation for 3-(3-methylcyclohexyl)sulfanylpropanamide?
The canonical SMILES for 3-(3-methylcyclohexyl)sulfanylpropanamide is CC1CCCC(SCCC(N)=O)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)sulfanylpropanamide?
The InChIKey is KGDZQASVQDANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of 3-(3-methylcyclohexyl)sulfanylpropanamide?
3-(3-methylcyclohexyl)sulfanylpropanamide has a molecular weight of 201.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)sulfanylpropanamide is sourced from PubChem (CID 62721555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).