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

C14H29NO2S — CID 65415614

IUPAC1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCC(C)C1
InChIInChI=1S/C14H29NO2S/c1-4-9-15-14(6-5-10-18(3,16)17)13-8-7-12(2)11-13/h12-15H,4-11H2,1-3H3
InChIKeyULYODSZIELORLU-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds8

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

1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 65415614) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID65415614
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CCC(C)C1
InChIInChI=1S/C14H29NO2S/c1-4-9-15-14(6-5-10-18(3,16)17)13-8-7-12(2)11-13/h12-15H,4-11H2,1-3H3
InChIKeyULYODSZIELORLU-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
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-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
1-(3-methylcyclopentyl)-4-methylsulfonylbutan-1-ol
CID 65401759
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 65415614) is 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1CCC(C)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is ULYODSZIELORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-9-15-14(6-5-10-18(3,16)17)13-8-7-12(2)11-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 65415614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).