1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine

C17H35NO2S — CID 115820297

IUPAC1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCCCC1CCC(C(CCCS(C)(=O)=O)NCC)CC1
InChIInChI=1S/C17H35NO2S/c1-4-6-8-15-10-12-16(13-11-15)17(18-5-2)9-7-14-21(3,19)20/h15-18H,4-14H2,1-3H3
InChIKeyBFCVXQFMWZIKFZ-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.79
Rot. Bonds10

About 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine

1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine (PubChem CID 115820297) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
PubChem CID115820297
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC Name1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCCCC1CCC(C(CCCS(C)(=O)=O)NCC)CC1
InChIInChI=1S/C17H35NO2S/c1-4-6-8-15-10-12-16(13-11-15)17(18-5-2)9-7-14-21(3,19)20/h15-18H,4-14H2,1-3H3
InChIKeyBFCVXQFMWZIKFZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine (CID 115820297) is 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine is CCCCC1CCC(C(CCCS(C)(=O)=O)NCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is BFCVXQFMWZIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-4-6-8-15-10-12-16(13-11-15)17(18-5-2)9-7-14-21(3,19)20/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine?
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 115820297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).