2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

C14H20N2OS — CID 113220009

IUPAC2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC(c1cccs1)C1CC1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-13(16-7-1-2-8-16)10-15-14(11-5-6-11)12-4-3-9-18-12/h3-4,9,11,14-15H,1-2,5-8,10H2
InChIKeyNQOLSOOPCPMOGV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds5

About 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 113220009) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID113220009
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC(c1cccs1)C1CC1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-13(16-7-1-2-8-16)10-15-14(11-5-6-11)12-4-3-9-18-12/h3-4,9,11,14-15H,1-2,5-8,10H2
InChIKeyNQOLSOOPCPMOGV-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
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
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 115900267
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (CID 113220009) is 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CNC(c1cccs1)C1CC1)N1CCCC1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is NQOLSOOPCPMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-13(16-7-1-2-8-16)10-15-14(11-5-6-11)12-4-3-9-18-12/h3-4,9,11,14-15H,1-2,5-8,10H2.
What are the key properties of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 264.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113220009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).