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

C12H25NO2S — CID 103830760

IUPAC4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCNC1CCC(C)CC1
InChIInChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-8-13-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyYOXTZRTYGLTAGK-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine

4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine (PubChem CID 103830760) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
PubChem CID103830760
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCNC1CCC(C)CC1
InChIInChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-8-13-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyYOXTZRTYGLTAGK-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

N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
CID 58917870
CID 58917870

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine (CID 103830760) is 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine is CCCS(=O)(=O)CCNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is YOXTZRTYGLTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-8-13-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine?
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-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-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 103830760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).