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

C10H18N4O2S — CID 55153289

IUPACN-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC2CN)c1
InChIInChI=1S/C10H18N4O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-3-8(9)5-11/h6-9,13H,2-5,11H2,1H3
InChIKeyXMORWAFAVPNOEP-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.17
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide (PubChem CID 55153289) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
PubChem CID55153289
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC2CN)c1
InChIInChI=1S/C10H18N4O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-3-8(9)5-11/h6-9,13H,2-5,11H2,1H3
InChIKeyXMORWAFAVPNOEP-UHFFFAOYSA-N
XLogP-0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide (CID 55153289) is N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is XMORWAFAVPNOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-3-8(9)5-11/h6-9,13H,2-5,11H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 55153289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).