N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide

C15H18N2OS — CID 107271586

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
SMILESCSC1(CNC(=O)c2ccc3[nH]ccc3c2)CCC1
InChIInChI=1S/C15H18N2OS/c1-19-15(6-2-7-15)10-17-14(18)12-3-4-13-11(9-12)5-8-16-13/h3-5,8-9,16H,2,6-7,10H2,1H3,(H,17,18)
InChIKeyWRUVFJCPCIOCJF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide

N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide (PubChem CID 107271586) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
PubChem CID107271586
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
SMILESCSC1(CNC(=O)c2ccc3[nH]ccc3c2)CCC1
InChIInChI=1S/C15H18N2OS/c1-19-15(6-2-7-15)10-17-14(18)12-3-4-13-11(9-12)5-8-16-13/h3-5,8-9,16H,2,6-7,10H2,1H3,(H,17,18)
InChIKeyWRUVFJCPCIOCJF-UHFFFAOYSA-N
XLogP3.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114117445
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
1-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 107271669

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide (CID 107271586) is N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide is CSC1(CNC(=O)c2ccc3[nH]ccc3c2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is WRUVFJCPCIOCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-19-15(6-2-7-15)10-17-14(18)12-3-4-13-11(9-12)5-8-16-13/h3-5,8-9,16H,2,6-7,10H2,1H3,(H,17,18).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide?
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 107271586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).