N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide

C14H20N2O2S — CID 111977244

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H20N2O2S/c1-11(19-12-6-2-5-9-15-12)13(17)16-10-14(18)7-3-4-8-14/h2,5-6,9,11,18H,3-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNVSHAUZGSFDGTF-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.98
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide

N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 111977244) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID111977244
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H20N2O2S/c1-11(19-12-6-2-5-9-15-12)13(17)16-10-14(18)7-3-4-8-14/h2,5-6,9,11,18H,3-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNVSHAUZGSFDGTF-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 131912764
3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
CID 3954885
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
(2S)-N-[2-(4-nitrophenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030696
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide (CID 111977244) is N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is NVSHAUZGSFDGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(19-12-6-2-5-9-15-12)13(17)16-10-14(18)7-3-4-8-14/h2,5-6,9,11,18H,3-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide?
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 111977244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).