2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine

C16H31NO2S — CID 64674406

IUPAC2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-3-13-10-11-15(17-4-2)16(12-13)20(18,19)14-8-6-5-7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyRVTOYVGIWWIGDA-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine

2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine (PubChem CID 64674406) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
PubChem CID64674406
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-3-13-10-11-15(17-4-2)16(12-13)20(18,19)14-8-6-5-7-9-14/h13-17H,3-12H2,1-2H3
InChIKeyRVTOYVGIWWIGDA-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-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
CID 64676103
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
2-(cyclohexylmethoxy)-N,4-diethylcyclohexan-1-amine
CID 63500914
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 62994122
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine (CID 64674406) is 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine?
The InChIKey is RVTOYVGIWWIGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-3-13-10-11-15(17-4-2)16(12-13)20(18,19)14-8-6-5-7-9-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine?
2-cyclohexylsulfonyl-N,4-diethylcyclohexan-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 2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 64674406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).