3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C13H25N3O2S — CID 80522145

IUPAC3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CCN(C3CC3)CC2)C1
InChIInChI=1S/C13H25N3O2S/c17-19(18)10-4-14-12(11-19)3-5-15-6-8-16(9-7-15)13-1-2-13/h12-14H,1-11H2
InChIKeyFBOOQRIMVNRNML-UHFFFAOYSA-N
MW287.43 g/mol
LogP-0.46
Rot. Bonds4

About 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80522145) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80522145
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CCN(C3CC3)CC2)C1
InChIInChI=1S/C13H25N3O2S/c17-19(18)10-4-14-12(11-19)3-5-15-6-8-16(9-7-15)13-1-2-13/h12-14H,1-11H2
InChIKeyFBOOQRIMVNRNML-UHFFFAOYSA-N
XLogP-0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521283
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521983
3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521219
3-[2-(4-tert-butylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80519793
3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80522139
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
CID 80522010
4-piperidin-1-yl-1-(2-pyrrolidin-2-ylethyl)piperidine
CID 61366277
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
N-(1-cyclopropylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520231
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 80522145) is 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(CCN2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FBOOQRIMVNRNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c17-19(18)10-4-14-12(11-19)3-5-15-6-8-16(9-7-15)13-1-2-13/h12-14H,1-11H2.
What are the key properties of 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.43 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).