(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine

C19H24N4O2S — CID 166025357

IUPAC(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine
SMILESCc1ccc(S(=O)(=O)n2ncc3ccc(C[C@@H](CN)N(C)C)cc32)cc1
InChIInChI=1S/C19H24N4O2S/c1-14-4-8-18(9-5-14)26(24,25)23-19-11-15(6-7-16(19)13-21-23)10-17(12-20)22(2)3/h4-9,11,13,17H,10,12,20H2,1-3H3/t17-/m0/s1
InChIKeyIVFAEHBLFVSGEH-KRWDZBQOSA-N
MW372.49 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine

(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine (PubChem CID 166025357) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine
PubChem CID166025357
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine
SMILESCc1ccc(S(=O)(=O)n2ncc3ccc(C[C@@H](CN)N(C)C)cc32)cc1
InChIInChI=1S/C19H24N4O2S/c1-14-4-8-18(9-5-14)26(24,25)23-19-11-15(6-7-16(19)13-21-23)10-17(12-20)22(2)3/h4-9,11,13,17H,10,12,20H2,1-3H3/t17-/m0/s1
InChIKeyIVFAEHBLFVSGEH-KRWDZBQOSA-N
XLogP2.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine (CID 166025357) is (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine is Cc1ccc(S(=O)(=O)n2ncc3ccc(C[C@@H](CN)N(C)C)cc32)cc1.
What is the InChIKey of (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine?
The InChIKey is IVFAEHBLFVSGEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-4-8-18(9-5-14)26(24,25)23-19-11-15(6-7-16(19)13-21-23)10-17(12-20)22(2)3/h4-9,11,13,17H,10,12,20H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine?
(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine has a molecular weight of 372.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine is sourced from PubChem (CID 166025357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).