2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide

C12H22N2OS — CID 103843972

IUPAC2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1NC(=O)CNC1CC1
InChIInChI=1S/C12H22N2OS/c1-16-11-5-3-2-4-10(11)14-12(15)8-13-9-6-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyCDBYLEKSWOQVTP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.53
Rot. Bonds5

About 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide

2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide (PubChem CID 103843972) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
PubChem CID103843972
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1NC(=O)CNC1CC1
InChIInChI=1S/C12H22N2OS/c1-16-11-5-3-2-4-10(11)14-12(15)8-13-9-6-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyCDBYLEKSWOQVTP-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320449
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-(cyclopropylamino)-N-(2-ethylcyclopropyl)acetamide
CID 103843959
2-[2-[(2-methylsulfanylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 103932697
N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
CID 103859937
2-(cyclopentylamino)-N-(3-methylcyclopentyl)acetamide
CID 114546089
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfanylcyclopentyl)acetamide
CID 103811825
N-(3-methylbutyl)-2-[(2-methylsulfanylcyclopentyl)amino]acetamide
CID 114121621

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide (CID 103843972) is 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide is CSC1CCCCC1NC(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide?
The InChIKey is CDBYLEKSWOQVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-16-11-5-3-2-4-10(11)14-12(15)8-13-9-6-7-9/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide?
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide has a molecular weight of 242.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 103843972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).