3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one

C12H18N2OS — CID 116851424

IUPAC3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccsc1C(N)CC(=O)N1CCCC1
InChIInChI=1S/C12H18N2OS/c1-9-4-7-16-12(9)10(13)8-11(15)14-5-2-3-6-14/h4,7,10H,2-3,5-6,8,13H2,1H3
InChIKeyFYUHMVYMWXINQQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.07
Rot. Bonds3

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

3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 116851424) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID116851424
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccsc1C(N)CC(=O)N1CCCC1
InChIInChI=1S/C12H18N2OS/c1-9-4-7-16-12(9)10(13)8-11(15)14-5-2-3-6-14/h4,7,10H,2-3,5-6,8,13H2,1H3
InChIKeyFYUHMVYMWXINQQ-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
1-(azepan-1-yl)-2-chloro-2-(3-methylthiophen-2-yl)ethanone
CID 55047727
3-amino-3-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851410
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851396
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 55006968
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 116851424) is 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccsc1C(N)CC(=O)N1CCCC1.
What is the InChIKey of 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FYUHMVYMWXINQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-7-16-12(9)10(13)8-11(15)14-5-2-3-6-14/h4,7,10H,2-3,5-6,8,13H2,1H3.
What are the key properties of 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 238.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 116851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).