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

C12H22N4O2S — CID 55030619

IUPACN-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C2(CN)CCCC2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-10-14-11(8-15(10)2)19(17,18)16(3)12(9-13)6-4-5-7-12/h8H,4-7,9,13H2,1-3H3
InChIKeyJMUJCQUEKXWQRB-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.62
Rot. Bonds4

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

N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 55030619) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID55030619
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C2(CN)CCCC2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-10-14-11(8-15(10)2)19(17,18)16(3)12(9-13)6-4-5-7-12/h8H,4-7,9,13H2,1-3H3
InChIKeyJMUJCQUEKXWQRB-UHFFFAOYSA-N
XLogP0.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 55030619) is N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)C2(CN)CCCC2)cn1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is JMUJCQUEKXWQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-14-11(8-15(10)2)19(17,18)16(3)12(9-13)6-4-5-7-12/h8H,4-7,9,13H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 55030619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).