N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide

C8H17NO5S2 — CID 43827633

IUPACN-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCOCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-14-5-2-4-9-16(12,13)8-3-6-15(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyZCYZOGPVXUNFLK-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.87
Rot. Bonds6

About N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide

N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43827633) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID43827633
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCOCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-14-5-2-4-9-16(12,13)8-3-6-15(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyZCYZOGPVXUNFLK-UHFFFAOYSA-N
XLogP-0.87
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1,1-dioxothiolane-3-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

N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81078936
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-(5-bromo-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106158568
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
N-(6-chlorohexyl)-1,1-dioxothiane-4-sulfonamide
CID 107849074
(3S)-N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 51505280
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
CID 82715020
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide (CID 43827633) is N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide is COCCCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is ZCYZOGPVXUNFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-14-5-2-4-9-16(12,13)8-3-6-15(10,11)7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide?
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43827633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).