N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

C11H24N2O4S2 — CID 63923373

IUPACN-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O4S2/c1-10(2)12-6-4-8-19(16,17)13-11-5-3-7-18(14,15)9-11/h10-13H,3-9H2,1-2H3
InChIKeyLRYMFKHORGYKBF-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.13
Rot. Bonds7

About N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 63923373) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID63923373
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O4S2/c1-10(2)12-6-4-8-19(16,17)13-11-5-3-7-18(14,15)9-11/h10-13H,3-9H2,1-2H3
InChIKeyLRYMFKHORGYKBF-UHFFFAOYSA-N
XLogP-0.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide 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

3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
CID 63923323
N-(1,1-dioxothian-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065955
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
2-[(1,1-dioxothian-3-yl)sulfamoyl]acetic acid
CID 63924683
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
N-(2-methylcyclohexyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973998
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 63923373) is N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is LRYMFKHORGYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-10(2)12-6-4-8-19(16,17)13-11-5-3-7-18(14,15)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 63923373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).