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

C10H17N3O2S — CID 71808344

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(C)(=O)=O)c2c1CCCC2
InChIInChI=1S/C10H17N3O2S/c1-13-10-6-4-3-5-8(10)9(12-13)7-11-16(2,14)15/h11H,3-7H2,1-2H3
InChIKeyTZDHXDOAZVJAHR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.35
Rot. Bonds3

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

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide (PubChem CID 71808344) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
PubChem CID71808344
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(C)(=O)=O)c2c1CCCC2
InChIInChI=1S/C10H17N3O2S/c1-13-10-6-4-3-5-8(10)9(12-13)7-11-16(2,14)15/h11H,3-7H2,1-2H3
InChIKeyTZDHXDOAZVJAHR-UHFFFAOYSA-N
XLogP0.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}cyclopropanesulfonamide
CID 72718588
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
1-(1,5,5-trimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165949805
1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 71808377
N-((1-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)cyclopropanesulfonamide
CID 71808431
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904
2-[3-(Fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
CID 142262258
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 164019031
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 28808663
N-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}methanesulfonamide
CID 72718587
(1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazol-3-yl)methanamine
CID 83854742
(1-Ethyl-6-fluoro-4,5,6,7-tetrahydroindazol-3-yl)methanamine
CID 83854743

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide (CID 71808344) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide is Cn1nc(CNS(C)(=O)=O)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
The InChIKey is TZDHXDOAZVJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13-10-6-4-3-5-8(10)9(12-13)7-11-16(2,14)15/h11H,3-7H2,1-2H3.
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71808344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).