(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide

C13H22N4O3S2 — CID 146619369

IUPAC(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N[C@H](c2nccs2)CCN1CCCN1CCOCC1
InChIInChI=1S/C13H22N4O3S2/c18-22(19)15-12(13-14-3-11-21-13)2-6-17(22)5-1-4-16-7-9-20-10-8-16/h3,11-12,15H,1-2,4-10H2/t12-/m0/s1
InChIKeyXCKRKWXVNOYDAK-LBPRGKRZSA-N
MW346.48 g/mol
LogP0.45
Rot. Bonds5

About (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide

(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 146619369) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID146619369
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC Name(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N[C@H](c2nccs2)CCN1CCCN1CCOCC1
InChIInChI=1S/C13H22N4O3S2/c18-22(19)15-12(13-14-3-11-21-13)2-6-17(22)5-1-4-16-7-9-20-10-8-16/h3,11-12,15H,1-2,4-10H2/t12-/m0/s1
InChIKeyXCKRKWXVNOYDAK-LBPRGKRZSA-N
XLogP0.45
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide with MolForge

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Related Compounds

4-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154885131
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
4-methyl-3-(1,3-thiazol-2-yl)morpholine
CID 131131451
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 95128912
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 19074376
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 4585564
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide (CID 146619369) is (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N[C@H](c2nccs2)CCN1CCCN1CCOCC1.
What is the InChIKey of (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is XCKRKWXVNOYDAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c18-22(19)15-12(13-14-3-11-21-13)2-6-17(22)5-1-4-16-7-9-20-10-8-16/h3,11-12,15H,1-2,4-10H2/t12-/m0/s1.
What are the key properties of (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 346.48 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 146619369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).