2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine

C16H31NO2S — CID 64753287

IUPAC2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-10-12(2)9-13(3)16(15)20(18,19)11-14-7-5-6-8-14/h12-17H,4-11H2,1-3H3
InChIKeySYFDASTZHDOPJN-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.00
Rot. Bonds5

About 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64753287) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64753287
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-10-12(2)9-13(3)16(15)20(18,19)11-14-7-5-6-8-14/h12-17H,4-11H2,1-3H3
InChIKeySYFDASTZHDOPJN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753286
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759816
2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
CID 64676103
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
CID 107759815
2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758193
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64753287) is 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is SYFDASTZHDOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-17-15-10-12(2)9-13(3)16(15)20(18,19)11-14-7-5-6-8-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64753287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).