6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine

C16H31NO2S — CID 79847934

IUPAC6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(S(=O)(=O)C2CCCC2)CCCC1(C)C
InChIInChI=1S/C16H31NO2S/c1-4-12-17-15-14(10-7-11-16(15,2)3)20(18,19)13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyDUJHSURGGMQPMR-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.29
Rot. Bonds5

About 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine

6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 79847934) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID79847934
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(S(=O)(=O)C2CCCC2)CCCC1(C)C
InChIInChI=1S/C16H31NO2S/c1-4-12-17-15-14(10-7-11-16(15,2)3)20(18,19)13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyDUJHSURGGMQPMR-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

2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 79847934) is 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(S(=O)(=O)C2CCCC2)CCCC1(C)C.
What is the InChIKey of 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is DUJHSURGGMQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-12-17-15-14(10-7-11-16(15,2)3)20(18,19)13-8-5-6-9-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-cyclopentylsulfonyl-2,2-dimethyl-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 6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79847934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).