N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide

C11H17NO2S2 — CID 95984273

IUPACN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide
SMILESCSCC[C@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S2/c1-11(14,4-6-15-2)8-12-10(13)9-3-5-16-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyKCXSCOKOTWXECL-NSHDSACASA-N
MW259.40 g/mol
LogP1.98
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide (PubChem CID 95984273) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide
PubChem CID95984273
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide
SMILESCSCC[C@](C)(O)CNC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S2/c1-11(14,4-6-15-2)8-12-10(13)9-3-5-16-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyKCXSCOKOTWXECL-NSHDSACASA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
N-((3-methoxytetrahydrothiophen-3-yl)methyl)thiophene-3-carboxamide
CID 71804815
2-(Thiophen-3-ylformamido)acetic acid
CID 3055286
N-[(1-hydroxycyclopentyl)methyl]thiophene-3-carboxamide
CID 49670540
N-(2-hydroxy-3-methoxy-2-methylpropyl)thiophene-3-carboxamide
CID 56724179
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-4-methylthiophene-2-carboxamide
CID 71787270
N,N-diethylthiophene-3-carboxamide
CID 11389776
N-Butylthiophene-3-carboxamide
CID 12161492
3-thiophenecarboxamide, N-2-propynyl-
CID 60656784
N-[2-oxo-2-(propylamino)ethyl]thiophene-3-carboxamide
CID 45850141
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 47017211
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide
CID 95368828

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide (CID 95984273) is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide is CSCC[C@](C)(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide?
The InChIKey is KCXSCOKOTWXECL-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-11(14,4-6-15-2)8-12-10(13)9-3-5-16-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,12,13)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide?
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]thiophene-3-carboxamide is sourced from PubChem (CID 95984273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).