1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

C15H21ClN2OS — CID 63170226

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H21ClN2OS/c1-11(15(19)13-4-5-14(16)20-13)18-9-6-12(10-18)17-7-2-3-8-17/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyATVUPCCLBYJLSS-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 63170226) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID63170226
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H21ClN2OS/c1-11(15(19)13-4-5-14(16)20-13)18-9-6-12(10-18)17-7-2-3-8-17/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyATVUPCCLBYJLSS-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
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2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
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(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 63170226) is 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is CC(C(=O)c1ccc(Cl)s1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ATVUPCCLBYJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-11(15(19)13-4-5-14(16)20-13)18-9-6-12(10-18)17-7-2-3-8-17/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 312.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 63170226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).