N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide

C12H19NO2S — CID 95740854

IUPACN-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyACHIINIUGVBCJN-SNVBAGLBSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds4

About N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide

N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide (PubChem CID 95740854) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
PubChem CID95740854
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyACHIINIUGVBCJN-SNVBAGLBSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 115703678
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide (CID 95740854) is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide is CC(C)(C)[C@H](O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide?
The InChIKey is ACHIINIUGVBCJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide?
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide is sourced from PubChem (CID 95740854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).