N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2OS — CID 112659062

IUPACN-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCSCCN(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2OS/c1-15(7-8-17-2)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyHUDIZVXNRQDVQK-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide

N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 112659062) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID112659062
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCSCCN(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2OS/c1-15(7-8-17-2)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyHUDIZVXNRQDVQK-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 112659062) is N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide is CSCCN(C)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HUDIZVXNRQDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15(7-8-17-2)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 112659062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).