N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide

C12H23NOS — CID 107020891

IUPACN-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-9(2)11(15)12(14)13(3)10-7-5-4-6-8-10/h9-11,15H,4-8H2,1-3H3
InChIKeyMJARQKCMSCZSFJ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.73
Rot. Bonds3

About N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide

N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide (PubChem CID 107020891) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
PubChem CID107020891
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-9(2)11(15)12(14)13(3)10-7-5-4-6-8-10/h9-11,15H,4-8H2,1-3H3
InChIKeyMJARQKCMSCZSFJ-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.73
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

N-cyclopropyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107022355
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
CID 43267096
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
2-chloro-N-cyclohexyl-N-methyl-3-oxobutanamide
CID 139911668
N-cyclohexyl-N,2-dimethylpropanamide;ethane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159813706
4-amino-N-cyclohexyl-N,2-dimethylbutanamide
CID 80542163

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide?
The IUPAC name of N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide (CID 107020891) is N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide is CC(C)C(S)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide?
The InChIKey is MJARQKCMSCZSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-9(2)11(15)12(14)13(3)10-7-5-4-6-8-10/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide?
N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide has a molecular weight of 229.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide is sourced from PubChem (CID 107020891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).