1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide

C13H19N5O2S — CID 71808376

IUPAC1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2nn(C)c3c2CCCC3)c1
InChIInChI=1S/C13H19N5O2S/c1-17-8-13(14-9-17)21(19,20)15-7-11-10-5-3-4-6-12(10)18(2)16-11/h8-9,15H,3-7H2,1-2H3
InChIKeySKXDLVIBBJLODT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.51
Rot. Bonds4

About 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide (PubChem CID 71808376) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
PubChem CID71808376
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2nn(C)c3c2CCCC3)c1
InChIInChI=1S/C13H19N5O2S/c1-17-8-13(14-9-17)21(19,20)15-7-11-10-5-3-4-6-12(10)18(2)16-11/h8-9,15H,3-7H2,1-2H3
InChIKeySKXDLVIBBJLODT-UHFFFAOYSA-N
XLogP0.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide
CID 166366248
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
CID 71806154
N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 167791911
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808271
2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808274
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanesulfonyl chloride
CID 84706764
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide (CID 71808376) is 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2nn(C)c3c2CCCC3)c1.
What is the InChIKey of 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is SKXDLVIBBJLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17-8-13(14-9-17)21(19,20)15-7-11-10-5-3-4-6-12(10)18(2)16-11/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71808376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).