5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide

C14H21IN2OS — CID 71844646

IUPAC5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNC(=O)c1csc(I)c1
InChIInChI=1S/C14H21IN2OS/c1-10(2)8-17-5-3-4-12(17)7-16-14(18)11-6-13(15)19-9-11/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHEAKUJIGDSGXDR-GFCCVEGCSA-N
MW392.31 g/mol
LogP3.20
Rot. Bonds5

About 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide

5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 71844646) has the molecular formula C14H21IN2OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
PubChem CID71844646
Molecular FormulaC14H21IN2OS
Molecular Weight392.31 g/mol
Exact Mass392.04
IUPAC Name5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNC(=O)c1csc(I)c1
InChIInChI=1S/C14H21IN2OS/c1-10(2)8-17-5-3-4-12(17)7-16-14(18)11-6-13(15)19-9-11/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHEAKUJIGDSGXDR-GFCCVEGCSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.20
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

N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
CID 115625132
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499715
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide (CID 71844646) is 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide is CC(C)CN1CCC[C@@H]1CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is HEAKUJIGDSGXDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21IN2OS/c1-10(2)8-17-5-3-4-12(17)7-16-14(18)11-6-13(15)19-9-11/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 71844646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).