N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

C17H28ClN3O3S — CID 119598363

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)10-17(3,11-18)19-16(21)14-5-6-15-13(9-14)7-8-20(15)24(4,22)23;/h5-6,9,12H,7-8,10-11,18H2,1-4H3,(H,19,21);1H
InChIKeyMQUJKDWEWYWTBN-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.92
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (PubChem CID 119598363) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
PubChem CID119598363
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)10-17(3,11-18)19-16(21)14-5-6-15-13(9-14)7-8-20(15)24(4,22)23;/h5-6,9,12H,7-8,10-11,18H2,1-4H3,(H,19,21);1H
InChIKeyMQUJKDWEWYWTBN-UHFFFAOYSA-N
XLogP1.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119598227
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119606454
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (CID 119598363) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The InChIKey is MQUJKDWEWYWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12(2)10-17(3,11-18)19-16(21)14-5-6-15-13(9-14)7-8-20(15)24(4,22)23;/h5-6,9,12H,7-8,10-11,18H2,1-4H3,(H,19,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119598363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).