N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide

C14H18N2O2S — CID 95773944

IUPACN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide
SMILESCSC[C@@](C)(O)CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H18N2O2S/c1-14(18,9-19-2)8-15-13(17)12-7-10-5-3-4-6-11(10)16-12/h3-7,16,18H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeyRBNWHUYDCKMOHL-AWEZNQCLSA-N
MW278.38 g/mol
LogP2.01
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide (PubChem CID 95773944) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide
PubChem CID95773944
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide
SMILESCSC[C@@](C)(O)CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H18N2O2S/c1-14(18,9-19-2)8-15-13(17)12-7-10-5-3-4-6-11(10)16-12/h3-7,16,18H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeyRBNWHUYDCKMOHL-AWEZNQCLSA-N
XLogP2.01
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)isoquinoline-1-carboxamide
CID 103681634
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide (CID 95773944) is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide is CSC[C@@](C)(O)CNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide?
The InChIKey is RBNWHUYDCKMOHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(18,9-19-2)8-15-13(17)12-7-10-5-3-4-6-11(10)16-12/h3-7,16,18H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide?
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 95773944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).