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

C12H25N3OS — CID 43290300

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide
SMILESCCCN(CCC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C12H25N3OS/c1-4-7-15(8-5-2)10-12(16)14(3)9-6-11(13)17/h4-10H2,1-3H3,(H2,13,17)
InChIKeyNIOHOXSRCNXMOM-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.24
Rot. Bonds9

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

N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide (PubChem CID 43290300) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide
PubChem CID43290300
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide
SMILESCCCN(CCC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C12H25N3OS/c1-4-7-15(8-5-2)10-12(16)14(3)9-6-11(13)17/h4-10H2,1-3H3,(H2,13,17)
InChIKeyNIOHOXSRCNXMOM-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.24
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-(dipropylamino)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide (CID 43290300) is N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide is CCCN(CCC)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide?
The InChIKey is NIOHOXSRCNXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-7-15(8-5-2)10-12(16)14(3)9-6-11(13)17/h4-10H2,1-3H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(dipropylamino)-N-methylacetamide has a molecular weight of 259.42 g/mol, XLogP of 1.24, 9 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-(dipropylamino)-N-methylacetamide is sourced from PubChem (CID 43290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).