1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide

C14H24N2O4S3 — CID 19759870

IUPAC1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide
SMILESCN(C)CC1(C)Cc2cc(CC(C)(C)S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C14H24N2O4S3/c1-13(2,23(15,19)20)8-11-6-10-7-14(3,9-16(4)5)22(17,18)12(10)21-11/h6H,7-9H2,1-5H3,(H2,15,19,20)
InChIKeyYTOPVFBNRYXIHU-UHFFFAOYSA-N
MW380.56 g/mol
LogP1.01
Rot. Bonds5

About 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide

1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 19759870) has the molecular formula C14H24N2O4S3 and a molecular weight of 380.56 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID19759870
Molecular FormulaC14H24N2O4S3
Molecular Weight380.56 g/mol
Exact Mass380.09
IUPAC Name1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide
SMILESCN(C)CC1(C)Cc2cc(CC(C)(C)S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C14H24N2O4S3/c1-13(2,23(15,19)20)8-11-6-10-7-14(3,9-16(4)5)22(17,18)12(10)21-11/h6H,7-9H2,1-5H3,(H2,15,19,20)
InChIKeyYTOPVFBNRYXIHU-UHFFFAOYSA-N
XLogP1.01
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide (CID 19759870) is 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide is CN(C)CC1(C)Cc2cc(CC(C)(C)S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is YTOPVFBNRYXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S3/c1-13(2,23(15,19)20)8-11-6-10-7-14(3,9-16(4)5)22(17,18)12(10)21-11/h6H,7-9H2,1-5H3,(H2,15,19,20).
What are the key properties of 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide?
1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 380.56 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 19759870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).