2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C10H21NO2S2 — CID 115714483

IUPAC2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S2/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyRWPGAFSXSJVQHH-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.29
Rot. Bonds5

About 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 115714483) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID115714483
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC Name2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S2/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyRWPGAFSXSJVQHH-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 115708973
N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103779518
N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
CID 99790709
N-(4-methylpentyl)-2-methylsulfanylcyclopentan-1-amine
CID 102672397

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 115714483) is 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CSC1CCCCC1NCCS(C)(=O)=O.
What is the InChIKey of 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is RWPGAFSXSJVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 115714483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).