1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide

C7H15NO4S2 — CID 43827643

IUPAC1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO4S2/c1-6(2)8-14(11,12)7-3-4-13(9,10)5-7/h6-8H,3-5H2,1-2H3
InChIKeyIAMWRISISBEXKX-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.50
Rot. Bonds3

About 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide

1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide (PubChem CID 43827643) has the molecular formula C7H15NO4S2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
PubChem CID43827643
Molecular FormulaC7H15NO4S2
Molecular Weight241.33 g/mol
Exact Mass241.04
IUPAC Name1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO4S2/c1-6(2)8-14(11,12)7-3-4-13(9,10)5-7/h6-8H,3-5H2,1-2H3
InChIKeyIAMWRISISBEXKX-UHFFFAOYSA-N
XLogP-0.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
CID 82715020
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61145252
N-(2-aminocyclopentyl)-1,1-dioxothiolane-3-sulfonamide
CID 63251989
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]hexanoic acid
CID 107144936
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
CID 43606367
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 3-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoate
CID 66116046
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81078936
(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide
CID 51415857

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide (CID 43827643) is 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide is CC(C)NS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide?
The InChIKey is IAMWRISISBEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S2/c1-6(2)8-14(11,12)7-3-4-13(9,10)5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide?
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide has a molecular weight of 241.33 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide is sourced from PubChem (CID 43827643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).