2-(1,4-thiazepan-4-yl)pentanehydrazide

C10H21N3OS — CID 83047299

IUPAC2-(1,4-thiazepan-4-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-4-9(10(14)12-11)13-5-3-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyPTKTZBIKFYLRHC-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.58
Rot. Bonds4

About 2-(1,4-thiazepan-4-yl)pentanehydrazide

2-(1,4-thiazepan-4-yl)pentanehydrazide (PubChem CID 83047299) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(1,4-thiazepan-4-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(1,4-thiazepan-4-yl)pentanehydrazide
PubChem CID83047299
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name2-(1,4-thiazepan-4-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-4-9(10(14)12-11)13-5-3-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyPTKTZBIKFYLRHC-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

2-(azocan-1-yl)pentanehydrazide
CID 83047792
2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanehydrazide
CID 83047550
2-methyl-3-thiomorpholin-4-ylbutanehydrazide
CID 79408786
2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069
2-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
CID 83047306

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-thiazepan-4-yl)pentanehydrazide?
The IUPAC name of 2-(1,4-thiazepan-4-yl)pentanehydrazide (CID 83047299) is 2-(1,4-thiazepan-4-yl)pentanehydrazide.
What is the SMILES notation for 2-(1,4-thiazepan-4-yl)pentanehydrazide?
The canonical SMILES for 2-(1,4-thiazepan-4-yl)pentanehydrazide is CCCC(C(=O)NN)N1CCCSCC1.
What is the InChIKey of 2-(1,4-thiazepan-4-yl)pentanehydrazide?
The InChIKey is PTKTZBIKFYLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-2-4-9(10(14)12-11)13-5-3-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-(1,4-thiazepan-4-yl)pentanehydrazide?
2-(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 2-(1,4-thiazepan-4-yl)pentanehydrazide is sourced from PubChem (CID 83047299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).