1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine

C10H14Cl2N2S — CID 66223577

IUPAC1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1nc(Cl)ccc1Cl
InChIInChI=1S/C10H14Cl2N2S/c1-10(2,13)6-15-5-8-7(11)3-4-9(12)14-8/h3-4H,5-6,13H2,1-2H3
InChIKeyFWQOTAQGHLNVBF-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.36
Rot. Bonds4

About 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine

1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66223577) has the molecular formula C10H14Cl2N2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66223577
Molecular FormulaC10H14Cl2N2S
Molecular Weight265.21 g/mol
Exact Mass264.03
IUPAC Name1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CSCc1nc(Cl)ccc1Cl
InChIInChI=1S/C10H14Cl2N2S/c1-10(2,13)6-15-5-8-7(11)3-4-9(12)14-8/h3-4H,5-6,13H2,1-2H3
InChIKeyFWQOTAQGHLNVBF-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridinemethanethiol, 6-chloro-
CID 3067864
Pyridine, 2,2'-(dithiodimethylene)bis(6-chloro-
CID 3088794
5-Chloro-6-((methylsulfanyl)methyl)pyridin-2-amine
CID 54594448
3-Chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine
CID 170557073
6-Chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine
CID 170557087
2-Propylthio-3-amino-6-chloropyridine
CID 12700492
O-ethyl (6-chloro-2-pyridyl)methylsulfanylmethanethioate
CID 102477264
2-[(3,6-Dichloro-2-pyridinyl)methylsulfanyl]-5-fluoroaniline
CID 55127579
3,6-Dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyridine
CID 62885459
3,6-Dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyridine
CID 62886323
4-[(3,6-Dichloro-2-pyridinyl)methylsulfanyl]-3-fluoroaniline
CID 62891283
3-[(3,6-Dichloro-2-pyridinyl)methylsulfanyl]-5-fluoroaniline
CID 64285608

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine (CID 66223577) is 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine is CC(C)(N)CSCc1nc(Cl)ccc1Cl.
What is the InChIKey of 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is FWQOTAQGHLNVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2S/c1-10(2,13)6-15-5-8-7(11)3-4-9(12)14-8/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 265.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66223577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).