N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C13H25NO2S — CID 66105597

IUPACN-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(8-15)9-17-10-13(16)14-12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyLGIFWXYEBLLXFB-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.19
Rot. Bonds6

About N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 66105597) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID66105597
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(8-15)9-17-10-13(16)14-12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyLGIFWXYEBLLXFB-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide 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-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105990
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
(2R)-2-acetamido-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107774237
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66225169
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
CID 60746455
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 66105597) is N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(CO)CSCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is LGIFWXYEBLLXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(8-15)9-17-10-13(16)14-12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,14,16).
What are the key properties of N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 259.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66105597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).