N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide

C13H24N2O2S — CID 114123058

IUPACN-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide
SMILESCSC1CCC(NC(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18-12-4-2-10(3-5-12)15-13(16)8-11-9-14-6-7-17-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXKTLULHYBWWXNK-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.16
Rot. Bonds4

About N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide

N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide (PubChem CID 114123058) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide
PubChem CID114123058
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide
SMILESCSC1CCC(NC(=O)CC2CNCCO2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18-12-4-2-10(3-5-12)15-13(16)8-11-9-14-6-7-17-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXKTLULHYBWWXNK-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide (CID 114123058) is N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide is CSC1CCC(NC(=O)CC2CNCCO2)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide?
The InChIKey is XKTLULHYBWWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18-12-4-2-10(3-5-12)15-13(16)8-11-9-14-6-7-17-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide?
N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide has a molecular weight of 272.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 114123058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).