4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine

C12H25NO2S — CID 123658262

IUPAC4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-3-9-13-12-6-4-11(5-7-12)8-10-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyCHRQUQUMUWVDSO-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine

4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine (PubChem CID 123658262) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine
PubChem CID123658262
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-3-9-13-12-6-4-11(5-7-12)8-10-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyCHRQUQUMUWVDSO-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
2-(Cyclohexylmethylazaniumyl)ethanesulfonate
CID 152757612
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide
CID 134950008
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730474
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 63162770
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine (CID 123658262) is 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine?
The InChIKey is CHRQUQUMUWVDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-9-13-12-6-4-11(5-7-12)8-10-16(2,14)15/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine?
4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 123658262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).