1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine

C15H31NO2S — CID 107188047

IUPAC1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCC1(C)C
InChIInChI=1S/C15H31NO2S/c1-5-11-16-14(9-7-12-19(4,17)18)13-8-6-10-15(13,2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyKOVQPRDBVURYQS-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.01
Rot. Bonds8

About 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine

1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 107188047) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID107188047
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCCC1(C)C
InChIInChI=1S/C15H31NO2S/c1-5-11-16-14(9-7-12-19(4,17)18)13-8-6-10-15(13,2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyKOVQPRDBVURYQS-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 107193485
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
N-[1-(2,2-dimethylcyclopentyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 107190033
1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107188788
1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
CID 107188160
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-(2,2-dimethylcyclopentyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 107188690

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 107188047) is 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is KOVQPRDBVURYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-11-16-14(9-7-12-19(4,17)18)13-8-6-10-15(13,2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 107188047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).