hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate

C9H12ClN3O2S — CID 66338067

IUPAChydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
SMILESNNOC(=O)CCSc1c(N)cccc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-6-2-1-3-7(11)9(6)16-5-4-8(14)15-13-12/h1-3,13H,4-5,11-12H2
InChIKeyLNIMNPJAUWNBGE-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.33
Rot. Bonds5

About hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate

hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate (PubChem CID 66338067) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
PubChem CID66338067
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Namehydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
SMILESNNOC(=O)CCSc1c(N)cccc1Cl
InChIInChI=1S/C9H12ClN3O2S/c10-6-2-1-3-7(11)9(6)16-5-4-8(14)15-13-12/h1-3,13H,4-5,11-12H2
InChIKeyLNIMNPJAUWNBGE-UHFFFAOYSA-N
XLogP1.33
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
CID 66338434
4-(2-amino-6-chlorophenyl)sulfanyl-N-methylbutanamide
CID 63891216
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43304529
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
hydrazinyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 66337524
3-chloro-2-(2-ethylsulfonylethylsulfanyl)aniline
CID 43807883
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61318430
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
4-(2-amino-6-chlorophenyl)sulfanylbut-2-enoic acid
CID 76940801
methyl 4-(2-amino-6-chlorophenyl)sulfanyl-2-methylbut-2-enoate
CID 77076376

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate?
The IUPAC name of hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate (CID 66338067) is hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate is NNOC(=O)CCSc1c(N)cccc1Cl.
What is the InChIKey of hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate?
The InChIKey is LNIMNPJAUWNBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-6-2-1-3-7(11)9(6)16-5-4-8(14)15-13-12/h1-3,13H,4-5,11-12H2.
What are the key properties of hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate?
hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate has a molecular weight of 261.73 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 66338067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).