4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine

C8H13N3O3S3 — CID 63947423

IUPAC4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H13N3O3S3/c1-6-7(15-8(9)10-6)17(13,14)11-2-4-16(12)5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyRCMBUFCSLFBOIF-UHFFFAOYSA-N
MW295.41 g/mol
LogP-0.21
Rot. Bonds2

About 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine

4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine (PubChem CID 63947423) has the molecular formula C8H13N3O3S3 and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine
PubChem CID63947423
Molecular FormulaC8H13N3O3S3
Molecular Weight295.41 g/mol
Exact Mass295.01
IUPAC Name4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H13N3O3S3/c1-6-7(15-8(9)10-6)17(13,14)11-2-4-16(12)5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyRCMBUFCSLFBOIF-UHFFFAOYSA-N
XLogP-0.21
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine (CID 63947423) is 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)N1CCS(=O)CC1.
What is the InChIKey of 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine?
The InChIKey is RCMBUFCSLFBOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S3/c1-6-7(15-8(9)10-6)17(13,14)11-2-4-16(12)5-3-11/h2-5H2,1H3,(H2,9,10).
What are the key properties of 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine?
4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine has a molecular weight of 295.41 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63947423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).