N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine

C12H25NO2S — CID 106735482

IUPACN-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
SMILESCNCC1CCCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)16(14,15)8-7-11-5-4-6-12(11)9-13-3/h10-13H,4-9H2,1-3H3
InChIKeyNHIJLJPVILFAMF-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds6

About N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine

N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine (PubChem CID 106735482) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
PubChem CID106735482
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
SMILESCNCC1CCCC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)16(14,15)8-7-11-5-4-6-12(11)9-13-3/h10-13H,4-9H2,1-3H3
InChIKeyNHIJLJPVILFAMF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine (CID 106735482) is N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine is CNCC1CCCC1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine?
The InChIKey is NHIJLJPVILFAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)16(14,15)8-7-11-5-4-6-12(11)9-13-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine?
N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine is sourced from PubChem (CID 106735482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).