[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride

C10H15ClN2OS — CID 119413673

IUPAC[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccs2)C1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-11-8-4-5-12(7-8)10(13)9-3-2-6-14-9;/h2-3,6,8,11H,4-5,7H2,1H3;1H
InChIKeyHMYKNNVWZDSAPI-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.60
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride

[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride (PubChem CID 119413673) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
PubChem CID119413673
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccs2)C1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-11-8-4-5-12(7-8)10(13)9-3-2-6-14-9;/h2-3,6,8,11H,4-5,7H2,1H3;1H
InChIKeyHMYKNNVWZDSAPI-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 95401258
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride (CID 119413673) is [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride is CNC1CCN(C(=O)c2cccs2)C1.Cl.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is HMYKNNVWZDSAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-11-8-4-5-12(7-8)10(13)9-3-2-6-14-9;/h2-3,6,8,11H,4-5,7H2,1H3;1H.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119413673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).