4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide

C11H21NO2S — CID 71869605

IUPAC4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1CC1CCC1
InChIInChI=1S/C11H21NO2S/c1-9-10(2)15(13,14)7-6-12(9)8-11-4-3-5-11/h9-11H,3-8H2,1-2H3
InChIKeyWFQHYLPWIRZCQN-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.29
Rot. Bonds2

About 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide

4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 71869605) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID71869605
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1CC1CCC1
InChIInChI=1S/C11H21NO2S/c1-9-10(2)15(13,14)7-6-12(9)8-11-4-3-5-11/h9-11H,3-8H2,1-2H3
InChIKeyWFQHYLPWIRZCQN-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide (CID 71869605) is 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide is CC1C(C)S(=O)(=O)CCN1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is WFQHYLPWIRZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-10(2)15(13,14)7-6-12(9)8-11-4-3-5-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71869605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).