5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide

C10H20N2OS — CID 12500633

IUPAC5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
SMILESCC(CC(=O)N(C)C)CC(=S)N(C)C
InChIInChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyWRESSYGFBLMGGU-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds4

About 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide

5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide (PubChem CID 12500633) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
PubChem CID12500633
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
SMILESCC(CC(=O)N(C)C)CC(=S)N(C)C
InChIInChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyWRESSYGFBLMGGU-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The IUPAC name of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide (CID 12500633) is 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide.
What is the SMILES notation for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The canonical SMILES for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide is CC(CC(=O)N(C)C)CC(=S)N(C)C.
What is the InChIKey of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
The InChIKey is WRESSYGFBLMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(6-9(13)11(2)3)7-10(14)12(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide?
5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide has a molecular weight of 216.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide is sourced from PubChem (CID 12500633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).