4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C8H16N4O2S — CID 102885976

IUPAC4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O2S/c1-8-7-15(13,14)6-5-12(8)4-2-3-10-11-9/h8H,2-7H2,1H3
InChIKeyIXPCATJQKGAIBI-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.81
Rot. Bonds4

About 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885976) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885976
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O2S/c1-8-7-15(13,14)6-5-12(8)4-2-3-10-11-9/h8H,2-7H2,1H3
InChIKeyIXPCATJQKGAIBI-UHFFFAOYSA-N
XLogP0.81
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 102886658
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 104926801
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
CID 102887298
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102886124
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885976) is 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CCCN=[N+]=[N-].
What is the InChIKey of 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IXPCATJQKGAIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8-7-15(13,14)6-5-12(8)4-2-3-10-11-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 232.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).