N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide

C13H22N2O2S — CID 2976521

IUPACN-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)N1CCOCC1
InChIInChI=1S/C13H22N2O2S/c16-12(13(18)15-7-9-17-10-8-15)14-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,14,16)
InChIKeyNFZMNMTUHIRBTA-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.49
Rot. Bonds1

About N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide

N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 2976521) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID2976521
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCCC1)C(=S)N1CCOCC1
InChIInChI=1S/C13H22N2O2S/c16-12(13(18)15-7-9-17-10-8-15)14-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,14,16)
InChIKeyNFZMNMTUHIRBTA-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 2976521) is N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(NC1CCCCCC1)C(=S)N1CCOCC1.
What is the InChIKey of N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is NFZMNMTUHIRBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-12(13(18)15-7-9-17-10-8-15)14-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,14,16).
What are the key properties of N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 270.40 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 2976521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).