1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine

C13H21ClN2S — CID 55165548

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccc(Cl)s2)CCNC1
InChIInChI=1S/C13H21ClN2S/c1-3-13(6-7-15-9-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPESAZLGIHVXQCM-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.22
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine (PubChem CID 55165548) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
PubChem CID55165548
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccc(Cl)s2)CCNC1
InChIInChI=1S/C13H21ClN2S/c1-3-13(6-7-15-9-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPESAZLGIHVXQCM-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine (CID 55165548) is 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine is CCC1(CN(C)Cc2ccc(Cl)s2)CCNC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine?
The InChIKey is PESAZLGIHVXQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-13(6-7-15-9-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine has a molecular weight of 272.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 55165548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).