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

C10H19N3O3S2 — CID 43620058

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C10H19N3O3S2/c1-12(6-3-9(11)17)10(14)4-7-13-5-2-8-18(13,15)16/h2-8H2,1H3,(H2,11,17)
InChIKeyMRMLUNHJYZAYSY-UHFFFAOYSA-N
MW293.41 g/mol
LogP-0.45
Rot. Bonds6

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

N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide (PubChem CID 43620058) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide
PubChem CID43620058
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C10H19N3O3S2/c1-12(6-3-9(11)17)10(14)4-7-13-5-2-8-18(13,15)16/h2-8H2,1H3,(H2,11,17)
InChIKeyMRMLUNHJYZAYSY-UHFFFAOYSA-N
XLogP-0.45
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-0.45
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)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide (CID 43620058) is N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide is CN(CCC(N)=S)C(=O)CCN1CCCS1(=O)=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide?
The InChIKey is MRMLUNHJYZAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-12(6-3-9(11)17)10(14)4-7-13-5-2-8-18(13,15)16/h2-8H2,1H3,(H2,11,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide has a molecular weight of 293.41 g/mol, XLogP of -0.45, 6 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)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide is sourced from PubChem (CID 43620058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).