N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide

C13H24N2O2S — CID 114240919

IUPACN-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC1COCCC1NC(=O)CSC1CCNCC1
InChIInChI=1S/C13H24N2O2S/c1-10-8-17-7-4-12(10)15-13(16)9-18-11-2-5-14-6-3-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyVBDYJQGLAQNFHA-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.01
Rot. Bonds4

About N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide

N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114240919) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114240919
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC1COCCC1NC(=O)CSC1CCNCC1
InChIInChI=1S/C13H24N2O2S/c1-10-8-17-7-4-12(10)15-13(16)9-18-11-2-5-14-6-3-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyVBDYJQGLAQNFHA-UHFFFAOYSA-N
XLogP1.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114240919) is N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide is CC1COCCC1NC(=O)CSC1CCNCC1.
What is the InChIKey of N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is VBDYJQGLAQNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10-8-17-7-4-12(10)15-13(16)9-18-11-2-5-14-6-3-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 272.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114240919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).