N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

C9H17N3O3S2 — CID 43620062

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H17N3O3S2/c1-11(5-3-8(10)16)9(13)7-12-4-2-6-17(12,14)15/h2-7H2,1H3,(H2,10,16)
InChIKeyCXDIFYKYJRRCJN-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.84
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (PubChem CID 43620062) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
PubChem CID43620062
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H17N3O3S2/c1-11(5-3-8(10)16)9(13)7-12-4-2-6-17(12,14)15/h2-7H2,1H3,(H2,10,16)
InChIKeyCXDIFYKYJRRCJN-UHFFFAOYSA-N
XLogP-0.84
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (CID 43620062) is N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is CN(CCC(N)=S)C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The InChIKey is CXDIFYKYJRRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-11(5-3-8(10)16)9(13)7-12-4-2-6-17(12,14)15/h2-7H2,1H3,(H2,10,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide has a molecular weight of 279.39 g/mol, XLogP of -0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 43620062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).