N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide

C8H17N3OS — CID 43290486

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H17N3OS/c1-10(2)6-8(12)11(3)5-4-7(9)13/h4-6H2,1-3H3,(H2,9,13)
InChIKeyODBCWFZPHIZXDZ-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.32
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide (PubChem CID 43290486) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide
PubChem CID43290486
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H17N3OS/c1-10(2)6-8(12)11(3)5-4-7(9)13/h4-6H2,1-3H3,(H2,9,13)
InChIKeyODBCWFZPHIZXDZ-UHFFFAOYSA-N
XLogP-0.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.32
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-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide (CID 43290486) is N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide?
The InChIKey is ODBCWFZPHIZXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-10(2)6-8(12)11(3)5-4-7(9)13/h4-6H2,1-3H3,(H2,9,13).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide has a molecular weight of 203.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 43290486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).