N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide

C14H18N2OS — CID 114217639

IUPACN-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
SMILESCSCCCN(C)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2OS/c1-16(8-3-9-18-2)14(17)12-5-4-11-6-7-15-13(11)10-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyLHAKUTDOUYOBPY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide

N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide (PubChem CID 114217639) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
PubChem CID114217639
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
SMILESCSCCCN(C)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2OS/c1-16(8-3-9-18-2)14(17)12-5-4-11-6-7-15-13(11)10-12/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyLHAKUTDOUYOBPY-UHFFFAOYSA-N
XLogP2.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
N-methyl-N-(2-phenylmethoxyethyl)-1H-indole-6-carboxamide
CID 166216963
N-chloro-N-methyl-1H-indole-6-carboxamide
CID 156761567
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
4-chloro-N-methyl-N-(3-methylsulfanylpropyl)-3-nitrobenzamide
CID 114217633
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1H-indole-6-carboxamide
CID 103190473

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide (CID 114217639) is N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide is CSCCCN(C)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide?
The InChIKey is LHAKUTDOUYOBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(8-3-9-18-2)14(17)12-5-4-11-6-7-15-13(11)10-12/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide?
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 114217639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).