3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine

C16H31NO2S — CID 64717553

IUPAC3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C16H31NO2S/c1-3-10-17-14-7-5-9-16(12-14)20(18,19)15-8-4-6-13(2)11-15/h13-17H,3-12H2,1-2H3
InChIKeyVAZXXTRGKRASES-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.29
Rot. Bonds5

About 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine

3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine (PubChem CID 64717553) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
PubChem CID64717553
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C16H31NO2S/c1-3-10-17-14-7-5-9-16(12-14)20(18,19)15-8-4-6-13(2)11-15/h13-17H,3-12H2,1-2H3
InChIKeyVAZXXTRGKRASES-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758035
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine (CID 64717553) is 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)(=O)C2CCCC(C)C2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is VAZXXTRGKRASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-3-10-17-14-7-5-9-16(12-14)20(18,19)15-8-4-6-13(2)11-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine?
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64717553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).