(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide

C7H13NO2S — CID 124680559

IUPAC(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC[C@H]1C1CC1
InChIInChI=1S/C7H13NO2S/c9-11(10)4-3-8-5-7(11)6-1-2-6/h6-8H,1-5H2/t7-/m0/s1
InChIKeyMVUMOXFMZAEWRC-ZETCQYMHSA-N
MW175.25 g/mol
LogP-0.22
Rot. Bonds1

About (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide

(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide (PubChem CID 124680559) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
PubChem CID124680559
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC[C@H]1C1CC1
InChIInChI=1S/C7H13NO2S/c9-11(10)4-3-8-5-7(11)6-1-2-6/h6-8H,1-5H2/t7-/m0/s1
InChIKeyMVUMOXFMZAEWRC-ZETCQYMHSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide (CID 124680559) is (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC[C@H]1C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MVUMOXFMZAEWRC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)4-3-8-5-7(11)6-1-2-6/h6-8H,1-5H2/t7-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide?
(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 175.25 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 124680559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).