1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine

C16H33NO2S — CID 65415766

IUPAC1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCC(CC)C1
InChIInChI=1S/C16H33NO2S/c1-4-11-17-16(10-7-12-20(3,18)19)15-9-6-8-14(5-2)13-15/h14-17H,4-13H2,1-3H3
InChIKeyVBRJXRXBOCXELY-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.40
Rot. Bonds9

About 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine

1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 65415766) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID65415766
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCC(CC)C1
InChIInChI=1S/C16H33NO2S/c1-4-11-17-16(10-7-12-20(3,18)19)15-9-6-8-14(5-2)13-15/h14-17H,4-13H2,1-3H3
InChIKeyVBRJXRXBOCXELY-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411539
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
1-(3-ethylcyclohexyl)-3-methylsulfonylpropan-1-amine
CID 65415549
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 65415766) is 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is VBRJXRXBOCXELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-4-11-17-16(10-7-12-20(3,18)19)15-9-6-8-14(5-2)13-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 65415766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).