(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide

C9H17NO6S3 — CID 51415857

IUPAC(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESC[C@@]1(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S3/c1-9(3-5-18(13,14)7-9)10-19(15,16)8-2-4-17(11,12)6-8/h8,10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyOWUUFSYKDYROKF-DTWKUNHWSA-N
MW331.44 g/mol
LogP-1.33
Rot. Bonds3

About (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide

(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 51415857) has the molecular formula C9H17NO6S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID51415857
Molecular FormulaC9H17NO6S3
Molecular Weight331.44 g/mol
Exact Mass331.02
IUPAC Name(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESC[C@@]1(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S3/c1-9(3-5-18(13,14)7-9)10-19(15,16)8-2-4-17(11,12)6-8/h8,10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyOWUUFSYKDYROKF-DTWKUNHWSA-N
XLogP-1.33
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide (CID 51415857) is (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide is C[C@@]1(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is OWUUFSYKDYROKF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO6S3/c1-9(3-5-18(13,14)7-9)10-19(15,16)8-2-4-17(11,12)6-8/h8,10H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide?
(3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 51415857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).