3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C16H20N2OS2 — CID 43768081

IUPAC3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC(c1cccs1)c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2OS2/c19-15(18-9-1-2-10-18)7-8-17-16(13-5-3-11-20-13)14-6-4-12-21-14/h3-6,11-12,16-17H,1-2,7-10H2
InChIKeySIELOEGMQUTTLT-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.50
Rot. Bonds6

About 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43768081) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43768081
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC(c1cccs1)c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2OS2/c19-15(18-9-1-2-10-18)7-8-17-16(13-5-3-11-20-13)14-6-4-12-21-14/h3-6,11-12,16-17H,1-2,7-10H2
InChIKeySIELOEGMQUTTLT-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111284517

Frequently Asked Questions

What is the IUPAC name of 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43768081) is 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNC(c1cccs1)c1cccs1)N1CCCC1.
What is the InChIKey of 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SIELOEGMQUTTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c19-15(18-9-1-2-10-18)7-8-17-16(13-5-3-11-20-13)14-6-4-12-21-14/h3-6,11-12,16-17H,1-2,7-10H2.
What are the key properties of 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 320.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43768081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).