N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride

C11H17ClN2O2S — CID 120944157

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccsc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-7-2-3-16-10(7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H
InChIKeyZZPAFFGGWFJDOT-UHFFFAOYSA-N
MW276.79 g/mol
LogP0.79
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 120944157) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
PubChem CID120944157
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccsc1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-7-2-3-16-10(7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H
InChIKeyZZPAFFGGWFJDOT-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120945311
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 120944224
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
2-[(4-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120945101
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride (CID 120944157) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride is Cc1ccsc1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is ZZPAFFGGWFJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-7-2-3-16-10(7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).