1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine

C12H25NO2S — CID 106723533

IUPAC1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCNC1(C)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-10-16(14,15)11-9-13-12(2)7-5-4-6-8-12/h13H,3-11H2,1-2H3
InChIKeyLPPNCUOZHSZVOD-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds6

About 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine

1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106723533) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
PubChem CID106723533
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCNC1(C)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-10-16(14,15)11-9-13-12(2)7-5-4-6-8-12/h13H,3-11H2,1-2H3
InChIKeyLPPNCUOZHSZVOD-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
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
4-(4-fluoro-4-methylcyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 144300293
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
3-methyl-1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 64755065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine (CID 106723533) is 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine is CCCS(=O)(=O)CCNC1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is LPPNCUOZHSZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-10-16(14,15)11-9-13-12(2)7-5-4-6-8-12/h13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106723533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).