N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide

C11H21NO5S2 — CID 102867547

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C11H21NO5S2/c13-7-2-6-12(10-3-1-4-10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2
InChIKeyLGNDPDHSMFZOOQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.26
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 102867547) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID102867547
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C11H21NO5S2/c13-7-2-6-12(10-3-1-4-10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2
InChIKeyLGNDPDHSMFZOOQ-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide (CID 102867547) is N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N(CCCO)C2CCC2)C1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is LGNDPDHSMFZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c13-7-2-6-12(10-3-1-4-10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 102867547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).