2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine

C10H11ClN2S — CID 103757069

IUPAC2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
SMILESC#CCSCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2S/c1-2-6-14-7-5-12-9-3-4-13-10(11)8-9/h1,3-4,8H,5-7H2,(H,12,13)
InChIKeyIIKAMGJRCRTVNT-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine

2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine (PubChem CID 103757069) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
PubChem CID103757069
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
SMILESC#CCSCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClN2S/c1-2-6-14-7-5-12-9-3-4-13-10(11)8-9/h1,3-4,8H,5-7H2,(H,12,13)
InChIKeyIIKAMGJRCRTVNT-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
CID 104880103
5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
CID 103738602
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
2-chloro-1-N-(2-prop-2-ynylsulfanylethyl)benzene-1,4-diamine
CID 106426181
2-chloro-N-(2-prop-2-ynylsulfanylethyl)-7H-purin-6-amine
CID 106432038
2-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)benzene-1,4-diamine
CID 106426314
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
5-chloro-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 102975894
4-chloro-1-N-(2-prop-2-ynylsulfanylethyl)benzene-1,2-diamine
CID 106426139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine (CID 103757069) is 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine is C#CCSCCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine?
The InChIKey is IIKAMGJRCRTVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-2-6-14-7-5-12-9-3-4-13-10(11)8-9/h1,3-4,8H,5-7H2,(H,12,13).
What are the key properties of 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine?
2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine has a molecular weight of 226.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine is sourced from PubChem (CID 103757069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).