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

C13H24N4O2S — CID 62062769

IUPACN-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C2(CN)CCCCC2)cn1C
InChIInChI=1S/C13H24N4O2S/c1-11-15-12(9-16(11)2)20(18,19)17(3)13(10-14)7-5-4-6-8-13/h9H,4-8,10,14H2,1-3H3
InChIKeyCBICZLXECCWUFE-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.01
Rot. Bonds4

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

N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62062769) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62062769
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)C2(CN)CCCCC2)cn1C
InChIInChI=1S/C13H24N4O2S/c1-11-15-12(9-16(11)2)20(18,19)17(3)13(10-14)7-5-4-6-8-13/h9H,4-8,10,14H2,1-3H3
InChIKeyCBICZLXECCWUFE-UHFFFAOYSA-N
XLogP1.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 62062769) is N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)C2(CN)CCCCC2)cn1C.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is CBICZLXECCWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-15-12(9-16(11)2)20(18,19)17(3)13(10-14)7-5-4-6-8-13/h9H,4-8,10,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62062769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).