3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide

C12H22N2O2S — CID 30827845

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCSCC(N)=O
InChIInChI=1S/C12H22N2O2S/c1-9-4-2-3-5-10(9)14-12(16)6-7-17-8-11(13)15/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyKZAUZPRJTYRGMT-UWVGGRQHSA-N
MW258.39 g/mol
LogP1.29
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide (PubChem CID 30827845) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
PubChem CID30827845
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCSCC(N)=O
InChIInChI=1S/C12H22N2O2S/c1-9-4-2-3-5-10(9)14-12(16)6-7-17-8-11(13)15/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyKZAUZPRJTYRGMT-UWVGGRQHSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-(3-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66234587
N-(2-methylcyclohexyl)butanamide
CID 47005567
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
(2-methylcyclohexyl)urea
CID 3345444
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
3-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93302403
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
2-(2-aminobutylsulfanyl)-N-(2-methylcyclohexyl)acetamide
CID 66230553
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide (CID 30827845) is 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide is C[C@H]1CCCC[C@@H]1NC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is KZAUZPRJTYRGMT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9-4-2-3-5-10(9)14-12(16)6-7-17-8-11(13)15/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16)/t9-,10-/m0/s1.
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 258.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 30827845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).