N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide

C14H18N2OS — CID 63960321

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
SMILESCSCC(C)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H18N2OS/c1-10(9-18-2)8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyOIDFPMITESVMRR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide

N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide (PubChem CID 63960321) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
PubChem CID63960321
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
SMILESCSCC(C)CNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H18N2OS/c1-10(9-18-2)8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyOIDFPMITESVMRR-UHFFFAOYSA-N
XLogP2.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
1H-indole-4-carbohydrazide
CID 43316644
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide (CID 63960321) is N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide is CSCC(C)CNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide?
The InChIKey is OIDFPMITESVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(9-18-2)8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h3-7,10,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide?
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 63960321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).