1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

C8H13N3O4S3 — CID 82842459

IUPAC1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C8H13N3O4S3/c1-17(12,13)5-18(14,15)11-8-10-6-2-3-9-4-7(6)16-8/h9H,2-5H2,1H3,(H,10,11)
InChIKeyDERQLXLXUIXRHN-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.47
Rot. Bonds4

About 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (PubChem CID 82842459) has the molecular formula C8H13N3O4S3 and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
PubChem CID82842459
Molecular FormulaC8H13N3O4S3
Molecular Weight311.41 g/mol
Exact Mass311.01
IUPAC Name1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C8H13N3O4S3/c1-17(12,13)5-18(14,15)11-8-10-6-2-3-9-4-7(6)16-8/h9H,2-5H2,1H3,(H,10,11)
InChIKeyDERQLXLXUIXRHN-UHFFFAOYSA-N
XLogP-0.47
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (CID 82842459) is 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The InChIKey is DERQLXLXUIXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S3/c1-17(12,13)5-18(14,15)11-8-10-6-2-3-9-4-7(6)16-8/h9H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is sourced from PubChem (CID 82842459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).