N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide

C8H17NO5S2 — CID 83030738

IUPACN-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO5S2/c1-7(10)6-9-16(13,14)8-2-4-15(11,12)5-3-8/h7-10H,2-6H2,1H3/t7-/m1/s1
InChIKeyOLUGRQVCEWCGBI-SSDOTTSWSA-N
MW271.36 g/mol
LogP-1.14
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide

N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 83030738) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID83030738
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO5S2/c1-7(10)6-9-16(13,14)8-2-4-15(11,12)5-3-8/h7-10H,2-6H2,1H3/t7-/m1/s1
InChIKeyOLUGRQVCEWCGBI-SSDOTTSWSA-N
XLogP-1.14
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide (CID 83030738) is N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide is C[C@@H](O)CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is OLUGRQVCEWCGBI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-7(10)6-9-16(13,14)8-2-4-15(11,12)5-3-8/h7-10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide?
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 83030738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).