N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

C10H18N2OS2 — CID 618805

IUPACN-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCSC1=S
InChIInChI=1S/C10H18N2OS2/c1-3-8(2)11-9(13)4-5-12-6-7-15-10(12)14/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyOUILQALNSOKRKA-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.62
Rot. Bonds5

About N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (PubChem CID 618805) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
PubChem CID618805
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC NameN-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCSC1=S
InChIInChI=1S/C10H18N2OS2/c1-3-8(2)11-9(13)4-5-12-6-7-15-10(12)14/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyOUILQALNSOKRKA-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.62
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-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (CID 618805) is N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is CCC(C)NC(=O)CCN1CCSC1=S.
What is the InChIKey of N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is OUILQALNSOKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-3-8(2)11-9(13)4-5-12-6-7-15-10(12)14/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 246.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 618805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).