N,N-diethyl-1,1-dioxothiolane-3-sulfonamide

C8H17NO4S2 — CID 2802499

IUPACN,N-diethyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-3-9(4-2)15(12,13)8-5-6-14(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyJCVYBNNWFCKBBI-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.15
Rot. Bonds4

About N,N-diethyl-1,1-dioxothiolane-3-sulfonamide

N,N-diethyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 2802499) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-diethyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID2802499
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN,N-diethyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-3-9(4-2)15(12,13)8-5-6-14(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyJCVYBNNWFCKBBI-UHFFFAOYSA-N
XLogP-0.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[(1,1-Dioxothiolan-3-yl)methylamino]sulfonyl}thiolane-1,1-dione
CID 3152338
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)methanesulfonamide
CID 16300330
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-methylmethanesulfonamide
CID 18573645
N,N-dipropyltetrahydro-3-thiophenesulfonamide 1,1-dioxide
CID 18593876
3-[(4-Methylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20995139
(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide
CID 40840691
3-[(Dimethylamino)sulfonyl]thiolane-1,1-dione
CID 4371357
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylmethanesulfonamide
CID 16300343
N-Methyl-11-dioxo-N-propyl-1lambda6-thiolane-3-sulfonamide
CID 16957629
N-Methyl-11-dioxo-N-pentyl-1lambda6-thiolane-3-sulfonamide
CID 16957630
N-butyl-N-methyltetrahydro-3-thiophenesulfonamide 1,1-dioxide
CID 18593877
N-ethyl-N-mesyl[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]amine
CID 40487937

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N,N-diethyl-1,1-dioxothiolane-3-sulfonamide (CID 2802499) is N,N-diethyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N,N-diethyl-1,1-dioxothiolane-3-sulfonamide is CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N,N-diethyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is JCVYBNNWFCKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-3-9(4-2)15(12,13)8-5-6-14(10,11)7-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-1,1-dioxothiolane-3-sulfonamide?
N,N-diethyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 2802499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).