(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride

C9H11Cl3N2OS — CID 119482772

IUPAC(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS.ClH/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13;/h3,5H,1-2,4,12H2;1H
InChIKeyHKICNJPJFBRYDO-UHFFFAOYSA-N
MW301.63 g/mol
LogP2.65
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride (PubChem CID 119482772) has the molecular formula C9H11Cl3N2OS and a molecular weight of 301.63 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
PubChem CID119482772
Molecular FormulaC9H11Cl3N2OS
Molecular Weight301.63 g/mol
Exact Mass299.97
IUPAC Name(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS.ClH/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13;/h3,5H,1-2,4,12H2;1H
InChIKeyHKICNJPJFBRYDO-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806964
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone
CID 119482982
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride (CID 119482772) is (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The InChIKey is HKICNJPJFBRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS.ClH/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13;/h3,5H,1-2,4,12H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride has a molecular weight of 301.63 g/mol, XLogP of 2.65, 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)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119482772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).