3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine

C10H22N2O4S2 — CID 110610699

IUPAC3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-9(2)12-18(15,16)11-6-3-4-10-5-7-17(13,14)8-10/h9-12H,3-8H2,1-2H3
InChIKeyWODXMYRYDDSNNR-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.03
Rot. Bonds7

About 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine

3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine (PubChem CID 110610699) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
PubChem CID110610699
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-9(2)12-18(15,16)11-6-3-4-10-5-7-17(13,14)8-10/h9-12H,3-8H2,1-2H3
InChIKeyWODXMYRYDDSNNR-UHFFFAOYSA-N
XLogP0.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110419542
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 110603003
N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
CID 114810384
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110419004
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
CID 110603018
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 110603011
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3,3-dimethylbutanamide
CID 110602993

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine (CID 110610699) is 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine is CC(C)NS(=O)(=O)NCCCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The InChIKey is WODXMYRYDDSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-9(2)12-18(15,16)11-6-3-4-10-5-7-17(13,14)8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine is sourced from PubChem (CID 110610699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).