(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride

C10H15ClN2OS — CID 71638228

IUPAC(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7-3-5-14-9(7)10(13)12-4-2-8(11)6-12;/h3,5,8H,2,4,6,11H2,1H3;1H
InChIKeyHRWFDFIWKXJWBR-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.65
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride (PubChem CID 71638228) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
PubChem CID71638228
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccsc1C(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7-3-5-14-9(7)10(13)12-4-2-8(11)6-12;/h3,5,8H,2,4,6,11H2,1H3;1H
InChIKeyHRWFDFIWKXJWBR-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylthiophen-2-yl)methanone
CID 124806600
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride (CID 71638228) is (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride is Cc1ccsc1C(=O)N1CCC(N)C1.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is HRWFDFIWKXJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-7-3-5-14-9(7)10(13)12-4-2-8(11)6-12;/h3,5,8H,2,4,6,11H2,1H3;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 71638228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).