(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide

C10H15NO5S2 — CID 7540593

IUPAC(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO5S2/c1-11(7-9-3-2-5-16-9)18(14,15)10-4-6-17(12,13)8-10/h2-3,5,10H,4,6-8H2,1H3/t10-/m0/s1
InChIKeyPKOHAWZXOHYCFN-JTQLQIEISA-N
MW293.37 g/mol
LogP0.23
Rot. Bonds4

About (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide

(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 7540593) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID7540593
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO5S2/c1-11(7-9-3-2-5-16-9)18(14,15)10-4-6-17(12,13)8-10/h2-3,5,10H,4,6-8H2,1H3/t10-/m0/s1
InChIKeyPKOHAWZXOHYCFN-JTQLQIEISA-N
XLogP0.23
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540591
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide
CID 16957631
(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 40512968
N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
CID 18593878
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(methylcarbamoyl)acetamide
CID 94016788
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 40953097
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 131950385

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 7540593) is (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide is CN(Cc1ccco1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is PKOHAWZXOHYCFN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-11(7-9-3-2-5-16-9)18(14,15)10-4-6-17(12,13)8-10/h2-3,5,10H,4,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 7540593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).