3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one

C11H15ClN2OS — CID 116851396

IUPAC3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)8(13)7-11(15)14-5-1-2-6-14/h3-4,8H,1-2,5-7,13H2
InChIKeyIKQGFSZULBOICZ-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one

3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 116851396) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID116851396
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)8(13)7-11(15)14-5-1-2-6-14/h3-4,8H,1-2,5-7,13H2
InChIKeyIKQGFSZULBOICZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70230035
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 116851396) is 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one is NC(CC(=O)N1CCCC1)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IKQGFSZULBOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)8(13)7-11(15)14-5-1-2-6-14/h3-4,8H,1-2,5-7,13H2.
What are the key properties of 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 258.77 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 116851396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).