3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide

C13H24N2O3S — CID 65119498

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
SMILESCC1CCC(O)(CNC(=O)CCSCC(N)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-10-2-5-13(18,6-3-10)9-15-12(17)4-7-19-8-11(14)16/h10,18H,2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUVLJGHOOVPRCNN-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.65
Rot. Bonds7

About 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide (PubChem CID 65119498) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
PubChem CID65119498
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
SMILESCC1CCC(O)(CNC(=O)CCSCC(N)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-10-2-5-13(18,6-3-10)9-15-12(17)4-7-19-8-11(14)16/h10,18H,2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUVLJGHOOVPRCNN-UHFFFAOYSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide with MolForge

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Related Compounds

(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120119
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
3-(2-amino-2-oxoethyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716632
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
CID 65120066
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
CID 65120285
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide
CID 65120280
2,2-diethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-oxobutanoic acid
CID 65116591
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide (CID 65119498) is 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide is CC1CCC(O)(CNC(=O)CCSCC(N)=O)CC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The InChIKey is UVLJGHOOVPRCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10-2-5-13(18,6-3-10)9-15-12(17)4-7-19-8-11(14)16/h10,18H,2-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide has a molecular weight of 288.41 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).