(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

C17H23N3O2S — CID 99783283

IUPAC(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C17H23N3O2S/c1-12-3-6-16(7-4-12)23(21,22)11-13(2)19-15-5-8-17-14(9-15)10-18-20-17/h3-4,6-7,10,13,15,19H,5,8-9,11H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyPCOBKLJFOSWFCK-ZFWWWQNUSA-N
MW333.46 g/mol
LogP2.03
Rot. Bonds5

About (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 99783283) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID99783283
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C17H23N3O2S/c1-12-3-6-16(7-4-12)23(21,22)11-13(2)19-15-5-8-17-14(9-15)10-18-20-17/h3-4,6-7,10,13,15,19H,5,8-9,11H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyPCOBKLJFOSWFCK-ZFWWWQNUSA-N
XLogP2.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 99783283) is (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine is Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is PCOBKLJFOSWFCK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-3-6-16(7-4-12)23(21,22)11-13(2)19-15-5-8-17-14(9-15)10-18-20-17/h3-4,6-7,10,13,15,19H,5,8-9,11H2,1-2H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine?
(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 333.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 99783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).