N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide

C13H17IN2OS — CID 78950614

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1csc(I)c1
InChIInChI=1S/C13H17IN2OS/c14-12-5-10(8-18-12)13(17)15-6-9-3-4-16(7-9)11-1-2-11/h5,8-9,11H,1-4,6-7H2,(H,15,17)
InChIKeyZBDBCFATSPSOSV-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.57
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide (PubChem CID 78950614) has the molecular formula C13H17IN2OS and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
PubChem CID78950614
Molecular FormulaC13H17IN2OS
Molecular Weight376.26 g/mol
Exact Mass376.01
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1csc(I)c1
InChIInChI=1S/C13H17IN2OS/c14-12-5-10(8-18-12)13(17)15-6-9-3-4-16(7-9)11-1-2-11/h5,8-9,11H,1-4,6-7H2,(H,15,17)
InChIKeyZBDBCFATSPSOSV-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
CID 115625132
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide (CID 78950614) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide is O=C(NCC1CCN(C2CC2)C1)c1csc(I)c1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide?
The InChIKey is ZBDBCFATSPSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2OS/c14-12-5-10(8-18-12)13(17)15-6-9-3-4-16(7-9)11-1-2-11/h5,8-9,11H,1-4,6-7H2,(H,15,17).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide has a molecular weight of 376.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78950614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).