1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one

C13H18N2OS — CID 65138744

IUPAC1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
SMILESNc1ncccc1CC(=O)CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-13-10(4-3-7-15-13)8-11(16)9-17-12-5-1-2-6-12/h3-4,7,12H,1-2,5-6,8-9H2,(H2,14,15)
InChIKeyYDBIKQIANJPNED-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one

1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one (PubChem CID 65138744) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
PubChem CID65138744
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
SMILESNc1ncccc1CC(=O)CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-13-10(4-3-7-15-13)8-11(16)9-17-12-5-1-2-6-12/h3-4,7,12H,1-2,5-6,8-9H2,(H2,14,15)
InChIKeyYDBIKQIANJPNED-UHFFFAOYSA-N
XLogP2.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z)-5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135449209
5-Benzyl-2-(2-pyridylimino)thiazolidin-4-one
CID 135431149
[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone
CID 162402825
5-Benzyl-2-(2-pyridinylimino)-1,3-thiazolidin-4-one
CID 135448458
Naphthyridin-6-one
CID 20059021
2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-yl-acetamide
CID 59096998
2-cyclopentylsulfanyl-2-(3,5-difluorophenyl)-N-pyridin-2-yl-acetamide
CID 59097031
2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-yl-acetamide
CID 59097036
1-[(1E,3E)-4-ethylsulfanyl-2-(1,1,2,2,2-pentafluoroethyl)buta-1,3-dienyl]imino-3-[5-methyl-2-(methylamino)-3-pyridinyl]propan-2-one
CID 160888347
2,2-Dimethyl-N-[3-(2-oxopropyl)-2-pyridinyl]propanamide
CID 14047154
1-(2-Amino-4-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 64126902
3-(2-Amino-3-pyridinyl)-1,1,1-trifluoropropan-2-one
CID 64133573

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one (CID 65138744) is 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one is Nc1ncccc1CC(=O)CSC1CCCC1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one?
The InChIKey is YDBIKQIANJPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-13-10(4-3-7-15-13)8-11(16)9-17-12-5-1-2-6-12/h3-4,7,12H,1-2,5-6,8-9H2,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one?
1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one is sourced from PubChem (CID 65138744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).