N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide

C7H15NO5S2 — CID 83058487

IUPACN-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO5S2/c1-6(9)4-8-15(12,13)7-2-3-14(10,11)5-7/h6-9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyVUZLCSZROQCVHU-PKPIPKONSA-N
MW257.33 g/mol
LogP-1.53
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide

N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 83058487) has the molecular formula C7H15NO5S2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID83058487
Molecular FormulaC7H15NO5S2
Molecular Weight257.33 g/mol
Exact Mass257.04
IUPAC NameN-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO5S2/c1-6(9)4-8-15(12,13)7-2-3-14(10,11)5-7/h6-9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyVUZLCSZROQCVHU-PKPIPKONSA-N
XLogP-1.53
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
CID 43606367
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
CID 82715020
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
CID 103833962

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide (CID 83058487) is N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide is C[C@H](O)CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is VUZLCSZROQCVHU-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO5S2/c1-6(9)4-8-15(12,13)7-2-3-14(10,11)5-7/h6-9H,2-5H2,1H3/t6-,7?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide?
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 257.33 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 83058487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).