N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide

C10H17N3O2S — CID 94197139

IUPACN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)12-9-5-4-6-10-8(9)7-11-13(10)2/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyDXXJURAAMVHQRX-VIFPVBQESA-N
MW243.33 g/mol
LogP0.74
Rot. Bonds3

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

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide (PubChem CID 94197139) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
PubChem CID94197139
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)12-9-5-4-6-10-8(9)7-11-13(10)2/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyDXXJURAAMVHQRX-VIFPVBQESA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
CID 47954940
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115719018
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 34125604
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide (CID 94197139) is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide is CCS(=O)(=O)N[C@H]1CCCc2c1cnn2C.
What is the InChIKey of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide?
The InChIKey is DXXJURAAMVHQRX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-16(14,15)12-9-5-4-6-10-8(9)7-11-13(10)2/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide?
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 94197139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).