N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide

C12H13NOS — CID 115532695

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1ccsc1
InChIInChI=1S/C12H13NOS/c1-2-6-13(8-10-3-4-10)12(14)11-5-7-15-9-11/h1,5,7,9-10H,3-4,6,8H2
InChIKeyKPRJSRUCHDKFFB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.23
Rot. Bonds4

About N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide

N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide (PubChem CID 115532695) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
PubChem CID115532695
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1ccsc1
InChIInChI=1S/C12H13NOS/c1-2-6-13(8-10-3-4-10)12(14)11-5-7-15-9-11/h1,5,7,9-10H,3-4,6,8H2
InChIKeyKPRJSRUCHDKFFB-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide
CID 113330071
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
3-bromo-N-(cyclopropylmethyl)-4-methyl-N-prop-2-ynylbenzamide
CID 113330065
N-(cyclopropylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999288
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
CID 115532473
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide (CID 115532695) is N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide is C#CCN(CC1CC1)C(=O)c1ccsc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide?
The InChIKey is KPRJSRUCHDKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-6-13(8-10-3-4-10)12(14)11-5-7-15-9-11/h1,5,7,9-10H,3-4,6,8H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide?
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide has a molecular weight of 219.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide is sourced from PubChem (CID 115532695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).