N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide

C8H17NO5S2 — CID 64592350

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-2-16(13,14)9(4-5-10)8-3-6-15(11,12)7-8/h8,10H,2-7H2,1H3
InChIKeyNMOXHEPZYCARJB-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.18
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 64592350) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID64592350
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-2-16(13,14)9(4-5-10)8-3-6-15(11,12)7-8/h8,10H,2-7H2,1H3
InChIKeyNMOXHEPZYCARJB-UHFFFAOYSA-N
XLogP-1.18
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide 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-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60958748
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide (CID 64592350) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide is CCS(=O)(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is NMOXHEPZYCARJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-2-16(13,14)9(4-5-10)8-3-6-15(11,12)7-8/h8,10H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 271.36 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 64592350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).