1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride

C9H13Cl3N2S — CID 120837575

IUPAC1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2csc(Cl)c2Cl)C1
InChIInChI=1S/C9H12Cl2N2S.ClH/c10-8-6(5-14-9(8)11)3-13-2-1-7(12)4-13;/h5,7H,1-4,12H2;1H
InChIKeyIDXUNAPWMYAQTD-UHFFFAOYSA-N
MW287.64 g/mol
LogP3.01
Rot. Bonds2

About 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120837575) has the molecular formula C9H13Cl3N2S and a molecular weight of 287.64 g/mol. Its IUPAC name is 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120837575
Molecular FormulaC9H13Cl3N2S
Molecular Weight287.64 g/mol
Exact Mass285.99
IUPAC Name1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2csc(Cl)c2Cl)C1
InChIInChI=1S/C9H12Cl2N2S.ClH/c10-8-6(5-14-9(8)11)3-13-2-1-7(12)4-13;/h5,7H,1-4,12H2;1H
InChIKeyIDXUNAPWMYAQTD-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.64
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836829
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838588
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine
CID 120840112

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120837575) is 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2csc(Cl)c2Cl)C1.
What is the InChIKey of 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is IDXUNAPWMYAQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2S.ClH/c10-8-6(5-14-9(8)11)3-13-2-1-7(12)4-13;/h5,7H,1-4,12H2;1H.
What are the key properties of 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 287.64 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120837575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).