N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide

C14H24N2O2S — CID 65417515

IUPACN-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
SMILESCC(CCO)SCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2S/c1-12(6-9-17)19-10-13(18)16(2)14(11-15)7-4-3-5-8-14/h12,17H,3-10H2,1-2H3
InChIKeyFXKBPQGIDUZRBE-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.18
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide (PubChem CID 65417515) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
PubChem CID65417515
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
SMILESCC(CCO)SCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2S/c1-12(6-9-17)19-10-13(18)16(2)14(11-15)7-4-3-5-8-14/h12,17H,3-10H2,1-2H3
InChIKeyFXKBPQGIDUZRBE-UHFFFAOYSA-N
XLogP2.18
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide (CID 65417515) is N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide is CC(CCO)SCC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
The InChIKey is FXKBPQGIDUZRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(6-9-17)19-10-13(18)16(2)14(11-15)7-4-3-5-8-14/h12,17H,3-10H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide has a molecular weight of 284.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 65417515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).