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

C10H21N3OS — CID 43290196

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide
SMILESCCN(CC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C10H21N3OS/c1-4-13(5-2)8-10(14)12(3)7-6-9(11)15/h4-8H2,1-3H3,(H2,11,15)
InChIKeyNLNLFQMYHNDZHZ-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.46
Rot. Bonds7

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

N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide (PubChem CID 43290196) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide
PubChem CID43290196
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide
SMILESCCN(CC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C10H21N3OS/c1-4-13(5-2)8-10(14)12(3)7-6-9(11)15/h4-8H2,1-3H3,(H2,11,15)
InChIKeyNLNLFQMYHNDZHZ-UHFFFAOYSA-N
XLogP0.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.46
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-(diethylamino)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide (CID 43290196) is N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide is CCN(CC)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide?
The InChIKey is NLNLFQMYHNDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-4-13(5-2)8-10(14)12(3)7-6-9(11)15/h4-8H2,1-3H3,(H2,11,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(diethylamino)-N-methylacetamide has a molecular weight of 231.36 g/mol, XLogP of 0.46, 7 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-(diethylamino)-N-methylacetamide is sourced from PubChem (CID 43290196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).