N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide

C13H24N4O2S — CID 62062813

IUPACN-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2(N)CCCCCC2)cn1C
InChIInChI=1S/C13H24N4O2S/c1-11-16-12(9-17(11)2)20(18,19)15-10-13(14)7-5-3-4-6-8-13/h9,15H,3-8,10,14H2,1-2H3
InChIKeySFQCPDAHFBBDGY-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.06
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide

N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62062813) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62062813
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2(N)CCCCCC2)cn1C
InChIInChI=1S/C13H24N4O2S/c1-11-16-12(9-17(11)2)20(18,19)15-10-13(14)7-5-3-4-6-8-13/h9,15H,3-8,10,14H2,1-2H3
InChIKeySFQCPDAHFBBDGY-UHFFFAOYSA-N
XLogP1.06
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (CID 62062813) is N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC2(N)CCCCCC2)cn1C.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is SFQCPDAHFBBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-16-12(9-17(11)2)20(18,19)15-10-13(14)7-5-3-4-6-8-13/h9,15H,3-8,10,14H2,1-2H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62062813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).