N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide

C14H18N2OS — CID 115665104

IUPACN-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2OS/c1-14(2,18-3)9-16-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyZXSXELUOPGYBRL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.04
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide (PubChem CID 115665104) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
PubChem CID115665104
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2OS/c1-14(2,18-3)9-16-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyZXSXELUOPGYBRL-UHFFFAOYSA-N
XLogP3.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide (CID 115665104) is N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide is CSC(C)(C)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide?
The InChIKey is ZXSXELUOPGYBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,18-3)9-16-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 115665104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).