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

C12H23NO2S — CID 66105990

IUPACN-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(7-14)8-16-9-12(15)13-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyCZRSRYUAFJPMBH-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.80
Rot. Bonds6

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

N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 66105990) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID66105990
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(7-14)8-16-9-12(15)13-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyCZRSRYUAFJPMBH-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105597
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
(2R)-2-acetamido-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107774237
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
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-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 66105990) is N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(CO)CSCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is CZRSRYUAFJPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(7-14)8-16-9-12(15)13-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 245.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66105990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).