N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide

C9H16N4O2S — CID 62955865

IUPACN-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O2S/c10-4-7-2-1-3-9(7)13-16(14,15)8-5-11-12-6-8/h5-7,9,13H,1-4,10H2,(H,11,12)
InChIKeyVHDPCVJDRBCJKE-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.18
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide

N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62955865) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
PubChem CID62955865
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O2S/c10-4-7-2-1-3-9(7)13-16(14,15)8-5-11-12-6-8/h5-7,9,13H,1-4,10H2,(H,11,12)
InChIKeyVHDPCVJDRBCJKE-UHFFFAOYSA-N
XLogP-0.18
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide (CID 62955865) is N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide is NCC1CCCC1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VHDPCVJDRBCJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c10-4-7-2-1-3-9(7)13-16(14,15)8-5-11-12-6-8/h5-7,9,13H,1-4,10H2,(H,11,12).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62955865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).