3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine

C14H17ClN4S — CID 105237744

IUPAC3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
SMILESNNC(CSc1ccccc1Cl)Cc1cccnc1N
InChIInChI=1S/C14H17ClN4S/c15-12-5-1-2-6-13(12)20-9-11(19-17)8-10-4-3-7-18-14(10)16/h1-7,11,19H,8-9,17H2,(H2,16,18)
InChIKeyBCSKYQJXZJPPJJ-UHFFFAOYSA-N
MW308.84 g/mol
LogP2.48
Rot. Bonds6

About 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine

3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine (PubChem CID 105237744) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
PubChem CID105237744
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
SMILESNNC(CSc1ccccc1Cl)Cc1cccnc1N
InChIInChI=1S/C14H17ClN4S/c15-12-5-1-2-6-13(12)20-9-11(19-17)8-10-4-3-7-18-14(10)16/h1-7,11,19H,8-9,17H2,(H2,16,18)
InChIKeyBCSKYQJXZJPPJJ-UHFFFAOYSA-N
XLogP2.48
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
3-(2-hydrazinyl-3-propan-2-ylsulfanylpropyl)pyridin-2-amine
CID 105226241
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
3-[3-(3,4-dichlorophenyl)-2-hydrazinylpropyl]pyridin-2-amine
CID 105210921
[1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237547
[1-(4-bromo-2-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237678
3-[2-(3-chloro-2-pyridinyl)-2-hydrazinylethyl]pyridin-2-amine
CID 103445799
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
3-[2-(4-chlorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105193448
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine (CID 105237744) is 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine is NNC(CSc1ccccc1Cl)Cc1cccnc1N.
What is the InChIKey of 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine?
The InChIKey is BCSKYQJXZJPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c15-12-5-1-2-6-13(12)20-9-11(19-17)8-10-4-3-7-18-14(10)16/h1-7,11,19H,8-9,17H2,(H2,16,18).
What are the key properties of 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine?
3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine has a molecular weight of 308.84 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine is sourced from PubChem (CID 105237744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).