4-(1,4-thiazepan-4-yl)pentanehydrazide

C10H21N3OS — CID 63578775

IUPAC4-(1,4-thiazepan-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCSCC1
InChIInChI=1S/C10H21N3OS/c1-9(3-4-10(14)12-11)13-5-2-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyMMPYJFXCFHPISF-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.58
Rot. Bonds4

About 4-(1,4-thiazepan-4-yl)pentanehydrazide

4-(1,4-thiazepan-4-yl)pentanehydrazide (PubChem CID 63578775) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(1,4-thiazepan-4-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(1,4-thiazepan-4-yl)pentanehydrazide
PubChem CID63578775
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name4-(1,4-thiazepan-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCSCC1
InChIInChI=1S/C10H21N3OS/c1-9(3-4-10(14)12-11)13-5-2-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyMMPYJFXCFHPISF-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-thiomorpholin-4-ylbutanehydrazide
CID 63569224
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484
N-propyl-3-(1,4-thiazepan-4-yl)butan-1-amine
CID 62412235
2-(1,4-thiazepan-4-yl)pentanehydrazide
CID 83047299
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 62411870
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 102892939
4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 65366409
3-(1,4-thiazepan-4-yl)butanethioamide
CID 61419827
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-thiazepan-4-yl)pentanehydrazide?
The IUPAC name of 4-(1,4-thiazepan-4-yl)pentanehydrazide (CID 63578775) is 4-(1,4-thiazepan-4-yl)pentanehydrazide.
What is the SMILES notation for 4-(1,4-thiazepan-4-yl)pentanehydrazide?
The canonical SMILES for 4-(1,4-thiazepan-4-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCCSCC1.
What is the InChIKey of 4-(1,4-thiazepan-4-yl)pentanehydrazide?
The InChIKey is MMPYJFXCFHPISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-9(3-4-10(14)12-11)13-5-2-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 4-(1,4-thiazepan-4-yl)pentanehydrazide?
4-(1,4-thiazepan-4-yl)pentanehydrazide has a molecular weight of 231.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-thiazepan-4-yl)pentanehydrazide is sourced from PubChem (CID 63578775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).