(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine

C19H27N3O2S — CID 97070120

IUPAC(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccc(C)c(S(=O)(=O)CCN(C)[C@@H]2CCCc3c2cnn3C)c1
InChIInChI=1S/C19H27N3O2S/c1-14-8-9-15(2)19(12-14)25(23,24)11-10-21(3)17-6-5-7-18-16(17)13-20-22(18)4/h8-9,12-13,17H,5-7,10-11H2,1-4H3/t17-/m1/s1
InChIKeyUSMRIIGOLKPEKB-QGZVFWFLSA-N
MW361.51 g/mol
LogP2.82
Rot. Bonds5

About (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 97070120) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID97070120
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccc(C)c(S(=O)(=O)CCN(C)[C@@H]2CCCc3c2cnn3C)c1
InChIInChI=1S/C19H27N3O2S/c1-14-8-9-15(2)19(12-14)25(23,24)11-10-21(3)17-6-5-7-18-16(17)13-20-22(18)4/h8-9,12-13,17H,5-7,10-11H2,1-4H3/t17-/m1/s1
InChIKeyUSMRIIGOLKPEKB-QGZVFWFLSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
CID 99718097
3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 126772467
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
4-methyl-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 63324763
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889
N-[(2,4-difluorophenyl)methyl]-N-[2-(2,5-dimethylphenyl)sulfonylethyl]cyclopropanamine
CID 52677439
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-[2-(2,5-dimethylphenyl)sulfonylethyl]-1,4-diazepan-5-one
CID 71900372

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 97070120) is (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine is Cc1ccc(C)c(S(=O)(=O)CCN(C)[C@@H]2CCCc3c2cnn3C)c1.
What is the InChIKey of (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is USMRIIGOLKPEKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-8-9-15(2)19(12-14)25(23,24)11-10-21(3)17-6-5-7-18-16(17)13-20-22(18)4/h8-9,12-13,17H,5-7,10-11H2,1-4H3/t17-/m1/s1.
What are the key properties of (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 361.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 97070120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).