N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide

C12H17NOS — CID 103742453

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESCC(C)C1(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NOS/c1-9(2)12(5-6-12)8-13-11(14)10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyJVUOKKIEWJOFAC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.91
Rot. Bonds4

About N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide

N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide (PubChem CID 103742453) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
PubChem CID103742453
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESCC(C)C1(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NOS/c1-9(2)12(5-6-12)8-13-11(14)10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyJVUOKKIEWJOFAC-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide (CID 103742453) is N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide is CC(C)C1(CNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide?
The InChIKey is JVUOKKIEWJOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)12(5-6-12)8-13-11(14)10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide?
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide has a molecular weight of 223.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 103742453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).