1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea

C10H14N2O5S3 — CID 18652240

IUPAC1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea
SMILESC[C@H]1Cc2cc(S(=O)(=O)NC(=O)N(C)C)sc2S1(=O)=O
InChIInChI=1S/C10H14N2O5S3/c1-6-4-7-5-8(18-9(7)19(6,14)15)20(16,17)11-10(13)12(2)3/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyUANMPUPQDPNGKP-LURJTMIESA-N
MW338.43 g/mol
LogP0.43
Rot. Bonds2

About 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea

1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea (PubChem CID 18652240) has the molecular formula C10H14N2O5S3 and a molecular weight of 338.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea
PubChem CID18652240
Molecular FormulaC10H14N2O5S3
Molecular Weight338.43 g/mol
Exact Mass338.01
IUPAC Name1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea
SMILESC[C@H]1Cc2cc(S(=O)(=O)NC(=O)N(C)C)sc2S1(=O)=O
InChIInChI=1S/C10H14N2O5S3/c1-6-4-7-5-8(18-9(7)19(6,14)15)20(16,17)11-10(13)12(2)3/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyUANMPUPQDPNGKP-LURJTMIESA-N
XLogP0.43
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea (CID 18652240) is 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea is C[C@H]1Cc2cc(S(=O)(=O)NC(=O)N(C)C)sc2S1(=O)=O.
What is the InChIKey of 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea?
The InChIKey is UANMPUPQDPNGKP-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O5S3/c1-6-4-7-5-8(18-9(7)19(6,14)15)20(16,17)11-10(13)12(2)3/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1.
What are the key properties of 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea?
1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea has a molecular weight of 338.43 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea is sourced from PubChem (CID 18652240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).