amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium

C10H13ClN2OS — CID 175752844

IUPACamino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium
SMILESCC(C)(C=Cc1cc(Cl)ccn1)[S+](N)[O-]
InChIInChI=1S/C10H13ClN2OS/c1-10(2,15(12)14)5-3-9-7-8(11)4-6-13-9/h3-7H,12H2,1-2H3
InChIKeyDWSZKPPIQPQJNY-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.15
Rot. Bonds3

About amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium

amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium (PubChem CID 175752844) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium.

Molecular Properties

Compound Nameamino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium
PubChem CID175752844
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Nameamino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium
SMILESCC(C)(C=Cc1cc(Cl)ccn1)[S+](N)[O-]
InChIInChI=1S/C10H13ClN2OS/c1-10(2,15(12)14)5-3-9-7-8(11)4-6-13-9/h3-7H,12H2,1-2H3
InChIKeyDWSZKPPIQPQJNY-UHFFFAOYSA-N
XLogP2.15
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2-pyridinyl)prop-2-ene-1-thiol
CID 169454603
(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
CID 137006992
4-(2-chloropyrimidin-4-yl)-2-methylbut-3-en-2-ol
CID 76791231
4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal
CID 153392299
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
CID 114052264
4-chloro-2-(2-fluoro-2-methylbut-3-enoxy)pyridine
CID 176959684
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55294042
2-tert-butyl-4-chloropyridine;phosphoryl trichloride
CID 87563896
(4-chloro-2-pyridinyl)methanamine
CID 22727148
2-(tert-butylsulfanylmethyl)-4-chloropyridine
CID 79244586
amino-[4-(2-chloro-5-methyl-4-pyridinyl)-2-methylhex-3-en-2-yl]-oxidosulfanium
CID 175994585

Frequently Asked Questions

What is the IUPAC name of amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium?
The IUPAC name of amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium (CID 175752844) is amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium.
What is the SMILES notation for amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium?
The canonical SMILES for amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium is CC(C)(C=Cc1cc(Cl)ccn1)[S+](N)[O-].
What is the InChIKey of amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium?
The InChIKey is DWSZKPPIQPQJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-10(2,15(12)14)5-3-9-7-8(11)4-6-13-9/h3-7H,12H2,1-2H3.
What are the key properties of amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium?
amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium has a molecular weight of 244.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(4-chloro-2-pyridinyl)-2-methylbut-3-en-2-yl]-oxidosulfanium is sourced from PubChem (CID 175752844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).