N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide

C12H18N2O2S — CID 107318881

IUPACN-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCCCCCO
InChIInChI=1S/C12H18N2O2S/c15-9-3-1-2-6-14-12(16)10-17-11-4-7-13-8-5-11/h4-5,7-8,15H,1-3,6,9-10H2,(H,14,16)
InChIKeyHXWUXBVADGOMDU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.45
Rot. Bonds8

About N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide

N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 107318881) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID107318881
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCCCCCO
InChIInChI=1S/C12H18N2O2S/c15-9-3-1-2-6-14-12(16)10-17-11-4-7-13-8-5-11/h4-5,7-8,15H,1-3,6,9-10H2,(H,14,16)
InChIKeyHXWUXBVADGOMDU-UHFFFAOYSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 78854668
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide (CID 107318881) is N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is HXWUXBVADGOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-9-3-1-2-6-14-12(16)10-17-11-4-7-13-8-5-11/h4-5,7-8,15H,1-3,6,9-10H2,(H,14,16).
What are the key properties of N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide?
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 107318881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).