1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide

C10H21N3OS — CID 156804598

IUPAC1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide
SMILESCN1CCC(N=S2(=O)CCNCC2)CC1
InChIInChI=1S/C10H21N3OS/c1-13-6-2-10(3-7-13)12-15(14)8-4-11-5-9-15/h10-11H,2-9H2,1H3
InChIKeyWNWMQUQPYSVMFR-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.15
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide

1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide (PubChem CID 156804598) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide
PubChem CID156804598
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide
SMILESCN1CCC(N=S2(=O)CCNCC2)CC1
InChIInChI=1S/C10H21N3OS/c1-13-6-2-10(3-7-13)12-15(14)8-4-11-5-9-15/h10-11H,2-9H2,1H3
InChIKeyWNWMQUQPYSVMFR-UHFFFAOYSA-N
XLogP0.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide (CID 156804598) is 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide is CN1CCC(N=S2(=O)CCNCC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide?
The InChIKey is WNWMQUQPYSVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-13-6-2-10(3-7-13)12-15(14)8-4-11-5-9-15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide?
1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide has a molecular weight of 231.36 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)imino-1,4-thiazinane 1-oxide is sourced from PubChem (CID 156804598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).