N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine

C10H19NO2S — CID 62596755

IUPACN-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine
SMILESCS(=O)(=O)C1(CNC2CC2)CCCC1
InChIInChI=1S/C10H19NO2S/c1-14(12,13)10(6-2-3-7-10)8-11-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyGKKGHBQQDPMXLW-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.10
Rot. Bonds4

About N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine

N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine (PubChem CID 62596755) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine
PubChem CID62596755
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine
SMILESCS(=O)(=O)C1(CNC2CC2)CCCC1
InChIInChI=1S/C10H19NO2S/c1-14(12,13)10(6-2-3-7-10)8-11-9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyGKKGHBQQDPMXLW-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine (CID 62596755) is N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine is CS(=O)(=O)C1(CNC2CC2)CCCC1.
What is the InChIKey of N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine?
The InChIKey is GKKGHBQQDPMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14(12,13)10(6-2-3-7-10)8-11-9-4-5-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine?
N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine has a molecular weight of 217.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclopentyl)methyl]cyclopropanamine is sourced from PubChem (CID 62596755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).