4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide

C10H21N3O3S2 — CID 66381881

IUPAC4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S2/c1-8(3-4-9(14)12-11)13-5-6-17-7-10(13)18(2,15)16/h8,10H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyWFYCGVUYFCJETP-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.44
Rot. Bonds5

About 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide

4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide (PubChem CID 66381881) has the molecular formula C10H21N3O3S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
PubChem CID66381881
Molecular FormulaC10H21N3O3S2
Molecular Weight295.43 g/mol
Exact Mass295.10
IUPAC Name4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S2/c1-8(3-4-9(14)12-11)13-5-6-17-7-10(13)18(2,15)16/h8,10H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyWFYCGVUYFCJETP-UHFFFAOYSA-N
XLogP-0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
CID 66382063
N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381861
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66384755
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684
4-amino-2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 80544886

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?
The IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide (CID 66381881) is 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide.
What is the SMILES notation for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?
The canonical SMILES for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?
The InChIKey is WFYCGVUYFCJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S2/c1-8(3-4-9(14)12-11)13-5-6-17-7-10(13)18(2,15)16/h8,10H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide has a molecular weight of 295.43 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide is sourced from PubChem (CID 66381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).