(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide

C13H18N4OS2 — CID 135391424

IUPAC(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide
SMILESC[C@@H](C(=O)NNc1ccccc1)N1CSC(=S)N(C)C1
InChIInChI=1S/C13H18N4OS2/c1-10(17-8-16(2)13(19)20-9-17)12(18)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGYHRSJKFKGWFHF-JTQLQIEISA-N
MW310.45 g/mol
LogP1.70
Rot. Bonds4

About (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide

(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide (PubChem CID 135391424) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide
PubChem CID135391424
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide
SMILESC[C@@H](C(=O)NNc1ccccc1)N1CSC(=S)N(C)C1
InChIInChI=1S/C13H18N4OS2/c1-10(17-8-16(2)13(19)20-9-17)12(18)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyGYHRSJKFKGWFHF-JTQLQIEISA-N
XLogP1.70
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
CID 131873051
2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
CID 103576816
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide
CID 135391369
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
CID 4661286
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide?
The IUPAC name of (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide (CID 135391424) is (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide.
What is the SMILES notation for (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide?
The canonical SMILES for (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide is C[C@@H](C(=O)NNc1ccccc1)N1CSC(=S)N(C)C1.
What is the InChIKey of (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide?
The InChIKey is GYHRSJKFKGWFHF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-10(17-8-16(2)13(19)20-9-17)12(18)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide?
(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide has a molecular weight of 310.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide is sourced from PubChem (CID 135391424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).