(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid

C8H16N4O2S — CID 175599369

IUPAC(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid
SMILESCS/C(=N\[C@@H]1CCCN(C(=O)O)C1)NN
InChIInChI=1S/C8H16N4O2S/c1-15-7(11-9)10-6-3-2-4-12(5-6)8(13)14/h6H,2-5,9H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyFQGDAXJBJAIWSW-ZCFIWIBFSA-N
MW232.31 g/mol
LogP0.31
Rot. Bonds1

About (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid

(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid (PubChem CID 175599369) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid
PubChem CID175599369
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid
SMILESCS/C(=N\[C@@H]1CCCN(C(=O)O)C1)NN
InChIInChI=1S/C8H16N4O2S/c1-15-7(11-9)10-6-3-2-4-12(5-6)8(13)14/h6H,2-5,9H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyFQGDAXJBJAIWSW-ZCFIWIBFSA-N
XLogP0.31
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diaminomethylideneamino)piperidine-1-carboxylic acid
CID 77306150
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
3-methylpiperidine-1-carboxylic acid
CID 22047728
(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
(3R)-3-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 146597457
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
tert-butyl 3-(diaminomethylideneamino)piperidine-1-carboxylate;hydrochloride
CID 67427139
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid (CID 175599369) is (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid is CS/C(=N\[C@@H]1CCCN(C(=O)O)C1)NN.
What is the InChIKey of (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid?
The InChIKey is FQGDAXJBJAIWSW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-15-7(11-9)10-6-3-2-4-12(5-6)8(13)14/h6H,2-5,9H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1.
What are the key properties of (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid?
(3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid has a molecular weight of 232.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[hydrazinyl(methylsulfanyl)methylidene]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175599369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).