N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine

C12H25NO2S — CID 62725396

IUPACN-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(C)(=O)=O)CCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)13-10-12(6-4-5-7-12)8-9-16(3,14)15/h11,13H,4-10H2,1-3H3
InChIKeyKRYLJRCEKGUMBI-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 62725396) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID62725396
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCS(C)(=O)=O)CCCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)13-10-12(6-4-5-7-12)8-9-16(3,14)15/h11,13H,4-10H2,1-3H3
InChIKeyKRYLJRCEKGUMBI-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine (CID 62725396) is N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CCS(C)(=O)=O)CCCC1.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is KRYLJRCEKGUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)13-10-12(6-4-5-7-12)8-9-16(3,14)15/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62725396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).