4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C10H17N3O4S2 — CID 102885531

IUPAC4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2C)[nH]1
InChIInChI=1S/C10H17N3O4S2/c1-3-9-11-6-10(12-9)19(16,17)13-4-5-18(14,15)7-8(13)2/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyMPZLEHWYUZQIAC-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.22
Rot. Bonds3

About 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885531) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885531
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2C)[nH]1
InChIInChI=1S/C10H17N3O4S2/c1-3-9-11-6-10(12-9)19(16,17)13-4-5-18(14,15)7-8(13)2/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyMPZLEHWYUZQIAC-UHFFFAOYSA-N
XLogP-0.22
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885531) is 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CCc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2C)[nH]1.
What is the InChIKey of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MPZLEHWYUZQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-3-9-11-6-10(12-9)19(16,17)13-4-5-18(14,15)7-8(13)2/h6,8H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 307.40 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).