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

C11H17Cl3N2S — CID 120838588

IUPAC1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2csc(Cl)c2Cl)C1.Cl
InChIInChI=1S/C11H16Cl2N2S.ClH/c1-14-4-8-2-3-15(5-8)6-9-7-16-11(13)10(9)12;/h7-8,14H,2-6H2,1H3;1H
InChIKeyKFJFFAJGRASZQJ-UHFFFAOYSA-N
MW315.70 g/mol
LogP3.52
Rot. Bonds4

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

1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120838588) has the molecular formula C11H17Cl3N2S and a molecular weight of 315.70 g/mol. Its IUPAC name is 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID120838588
Molecular FormulaC11H17Cl3N2S
Molecular Weight315.70 g/mol
Exact Mass314.02
IUPAC Name1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2csc(Cl)c2Cl)C1.Cl
InChIInChI=1S/C11H16Cl2N2S.ClH/c1-14-4-8-2-3-15(5-8)6-9-7-16-11(13)10(9)12;/h7-8,14H,2-6H2,1H3;1H
InChIKeyKFJFFAJGRASZQJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
[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-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120835764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (CID 120838588) is 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2csc(Cl)c2Cl)C1.Cl.
What is the InChIKey of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is KFJFFAJGRASZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S.ClH/c1-14-4-8-2-3-15(5-8)6-9-7-16-11(13)10(9)12;/h7-8,14H,2-6H2,1H3;1H.
What are the key properties of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 315.70 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120838588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).