3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide

C14H25N3O4S3 — CID 10475811

IUPAC3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESCC(C)N(CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O)C(C)C
InChIInChI=1S/C14H25N3O4S3/c1-9(2)17(10(3)4)6-5-11-8-16-12-7-13(24(15,20)21)22-14(12)23(11,18)19/h7,9-11,16H,5-6,8H2,1-4H3,(H2,15,20,21)
InChIKeyHVRHOLLEILEVLZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.47
Rot. Bonds6

About 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide

3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (PubChem CID 10475811) has the molecular formula C14H25N3O4S3 and a molecular weight of 395.57 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
PubChem CID10475811
Molecular FormulaC14H25N3O4S3
Molecular Weight395.57 g/mol
Exact Mass395.10
IUPAC Name3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESCC(C)N(CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O)C(C)C
InChIInChI=1S/C14H25N3O4S3/c1-9(2)17(10(3)4)6-5-11-8-16-12-7-13(24(15,20)21)22-14(12)23(11,18)19/h7,9-11,16H,5-6,8H2,1-4H3,(H2,15,20,21)
InChIKeyHVRHOLLEILEVLZ-UHFFFAOYSA-N
XLogP1.47
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (CID 10475811) is 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is CC(C)N(CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The InChIKey is HVRHOLLEILEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S3/c1-9(2)17(10(3)4)6-5-11-8-16-12-7-13(24(15,20)21)22-14(12)23(11,18)19/h7,9-11,16H,5-6,8H2,1-4H3,(H2,15,20,21).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide has a molecular weight of 395.57 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is sourced from PubChem (CID 10475811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).