N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide

C10H14ClNOS — CID 115364717

IUPACN-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
SMILESCC(C)(CCl)CNC(=O)c1ccsc1
InChIInChI=1S/C10H14ClNOS/c1-10(2,6-11)7-12-9(13)8-3-4-14-5-8/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyVPTLCIJQCKXMPW-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.74
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide

N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide (PubChem CID 115364717) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
PubChem CID115364717
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
SMILESCC(C)(CCl)CNC(=O)c1ccsc1
InChIInChI=1S/C10H14ClNOS/c1-10(2,6-11)7-12-9(13)8-3-4-14-5-8/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyVPTLCIJQCKXMPW-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-(3-amino-2,2-difluoropropyl)thiophene-3-carboxamide
CID 114383347
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide (CID 115364717) is N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide is CC(C)(CCl)CNC(=O)c1ccsc1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide?
The InChIKey is VPTLCIJQCKXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(2,6-11)7-12-9(13)8-3-4-14-5-8/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide has a molecular weight of 231.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 115364717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).