N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide

C13H20N2O2S — CID 54916285

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)15(8-3-9-16)13(17)10-18-12-4-6-14-7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyJZNCVCQTEHUCNT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.79
Rot. Bonds7

About N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide

N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 54916285) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
PubChem CID54916285
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)15(8-3-9-16)13(17)10-18-12-4-6-14-7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyJZNCVCQTEHUCNT-UHFFFAOYSA-N
XLogP1.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide (CID 54916285) is N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide is CC(C)N(CCCO)C(=O)CSc1ccncc1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is JZNCVCQTEHUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11(2)15(8-3-9-16)13(17)10-18-12-4-6-14-7-5-12/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 54916285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).