N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide

C14H26N2O3S — CID 119604432

IUPACN-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
SMILESNCC1CCCC1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H26N2O3S/c15-10-11-4-3-7-13(11)16-14(17)8-9-20(18,19)12-5-1-2-6-12/h11-13H,1-10,15H2,(H,16,17)
InChIKeyFBPCIXRWYDWUMP-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide

N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide (PubChem CID 119604432) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
PubChem CID119604432
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
SMILESNCC1CCCC1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H26N2O3S/c15-10-11-4-3-7-13(11)16-14(17)8-9-20(18,19)12-5-1-2-6-12/h11-13H,1-10,15H2,(H,16,17)
InChIKeyFBPCIXRWYDWUMP-UHFFFAOYSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide (CID 119604432) is N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide is NCC1CCCC1NC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide?
The InChIKey is FBPCIXRWYDWUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c15-10-11-4-3-7-13(11)16-14(17)8-9-20(18,19)12-5-1-2-6-12/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide?
N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide is sourced from PubChem (CID 119604432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).