N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

C15H22N2OS — CID 112659261

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2OS/c1-4-13(10-19-3)17(2)15(18)12-5-6-14-11(9-12)7-8-16-14/h5-6,9,13,16H,4,7-8,10H2,1-3H3
InChIKeyDSWUQINTAQUVTP-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 112659261) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID112659261
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2OS/c1-4-13(10-19-3)17(2)15(18)12-5-6-14-11(9-12)7-8-16-14/h5-6,9,13,16H,4,7-8,10H2,1-3H3
InChIKeyDSWUQINTAQUVTP-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 112659261) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is CCC(CSC)N(C)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is DSWUQINTAQUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-13(10-19-3)17(2)15(18)12-5-6-14-11(9-12)7-8-16-14/h5-6,9,13,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 112659261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).