[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine

C17H33NO2S — CID 64696403

IUPAC[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C17H33NO2S/c1-3-5-14-8-9-15(12-18)17(11-14)21(19,20)16-7-4-6-13(2)10-16/h13-17H,3-12,18H2,1-2H3
InChIKeyNANIYNOMXMPULT-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.52
Rot. Bonds5

About [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine

[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine (PubChem CID 64696403) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine
PubChem CID64696403
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C17H33NO2S/c1-3-5-14-8-9-15(12-18)17(11-14)21(19,20)16-7-4-6-13(2)10-16/h13-17H,3-12,18H2,1-2H3
InChIKeyNANIYNOMXMPULT-UHFFFAOYSA-N
XLogP3.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767179
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
[2-(2,4-dimethylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 62330648

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine (CID 64696403) is [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(S(=O)(=O)C2CCCC(C)C2)C1.
What is the InChIKey of [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine?
The InChIKey is NANIYNOMXMPULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-3-5-14-8-9-15(12-18)17(11-14)21(19,20)16-7-4-6-13(2)10-16/h13-17H,3-12,18H2,1-2H3.
What are the key properties of [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine?
[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine has a molecular weight of 315.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 64696403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).