5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide

C9H21N3OS — CID 66227651

IUPAC5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
SMILESCC(CN)CSCCCCC(=O)NN
InChIInChI=1S/C9H21N3OS/c1-8(6-10)7-14-5-3-2-4-9(13)12-11/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyIJDHVAQKZYUBCX-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.47
Rot. Bonds8

About 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide

5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide (PubChem CID 66227651) has the molecular formula C9H21N3OS and a molecular weight of 219.35 g/mol. Its IUPAC name is 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
PubChem CID66227651
Molecular FormulaC9H21N3OS
Molecular Weight219.35 g/mol
Exact Mass219.14
IUPAC Name5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
SMILESCC(CN)CSCCCCC(=O)NN
InChIInChI=1S/C9H21N3OS/c1-8(6-10)7-14-5-3-2-4-9(13)12-11/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyIJDHVAQKZYUBCX-UHFFFAOYSA-N
XLogP0.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
CID 79670922
11-octadecylsulfanylundecanehydrazide
CID 18183822
4-pentylsulfanylbutanehydrazide
CID 107760917
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
4-ethylsulfanylbutanehydrazide
CID 63581929
2-methyl-3-octylsulfanylpropan-1-amine
CID 66225609
4-butylsulfanylbutanehydrazide
CID 63582322
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
3-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66226073
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide?
The IUPAC name of 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide (CID 66227651) is 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide.
What is the SMILES notation for 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide?
The canonical SMILES for 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide is CC(CN)CSCCCCC(=O)NN.
What is the InChIKey of 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide?
The InChIKey is IJDHVAQKZYUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3OS/c1-8(6-10)7-14-5-3-2-4-9(13)12-11/h8H,2-7,10-11H2,1H3,(H,12,13).
What are the key properties of 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide?
5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide has a molecular weight of 219.35 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide is sourced from PubChem (CID 66227651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).