N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide

C8H17NO5S2 — CID 43501635

IUPACN-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-2-7(5-10)9-16(13,14)8-3-4-15(11,12)6-8/h7-10H,2-6H2,1H3
InChIKeyPPWFJFGBJIJGOA-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.14
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide

N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43501635) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID43501635
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-2-7(5-10)9-16(13,14)8-3-4-15(11,12)6-8/h7-10H,2-6H2,1H3
InChIKeyPPWFJFGBJIJGOA-UHFFFAOYSA-N
XLogP-1.14
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide (CID 43501635) is N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide is CCC(CO)NS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is PPWFJFGBJIJGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-2-7(5-10)9-16(13,14)8-3-4-15(11,12)6-8/h7-10H,2-6H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide?
N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43501635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).