2-(oxolan-2-ylmethylsulfonylamino)butanethioamide

C9H18N2O3S2 — CID 63247335

IUPAC2-(oxolan-2-ylmethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)CC1CCCO1)C(N)=S
InChIInChI=1S/C9H18N2O3S2/c1-2-8(9(10)15)11-16(12,13)6-7-4-3-5-14-7/h7-8,11H,2-6H2,1H3,(H2,10,15)
InChIKeyJOUHHPNWEKTQNX-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.15
Rot. Bonds6

About 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide

2-(oxolan-2-ylmethylsulfonylamino)butanethioamide (PubChem CID 63247335) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonylamino)butanethioamide
PubChem CID63247335
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC Name2-(oxolan-2-ylmethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)CC1CCCO1)C(N)=S
InChIInChI=1S/C9H18N2O3S2/c1-2-8(9(10)15)11-16(12,13)6-7-4-3-5-14-7/h7-8,11H,2-6H2,1H3,(H2,10,15)
InChIKeyJOUHHPNWEKTQNX-UHFFFAOYSA-N
XLogP0.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide (CID 63247335) is 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)CC1CCCO1)C(N)=S.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide?
The InChIKey is JOUHHPNWEKTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-2-8(9(10)15)11-16(12,13)6-7-4-3-5-14-7/h7-8,11H,2-6H2,1H3,(H2,10,15).
What are the key properties of 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide?
2-(oxolan-2-ylmethylsulfonylamino)butanethioamide has a molecular weight of 266.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonylamino)butanethioamide is sourced from PubChem (CID 63247335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).