1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine

C16H33NO2S — CID 80610576

IUPAC1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCCCCC1
InChIInChI=1S/C16H33NO2S/c1-3-13-17-16(12-9-14-20(2,18)19)15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3
InChIKeyVAABYVNTFUIIDK-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.54
Rot. Bonds8

About 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine

1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 80610576) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID80610576
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCCCCC1
InChIInChI=1S/C16H33NO2S/c1-3-13-17-16(12-9-14-20(2,18)19)15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3
InChIKeyVAABYVNTFUIIDK-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine (CID 80610576) is 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is VAABYVNTFUIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-3-13-17-16(12-9-14-20(2,18)19)15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine?
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 80610576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).