2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol

C11H15ClN2OS — CID 64818640

IUPAC2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
SMILESNC(CO)(CSc1ncccc1Cl)C1CC1
InChIInChI=1S/C11H15ClN2OS/c12-9-2-1-5-14-10(9)16-7-11(13,6-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7,13H2
InChIKeyYXWLCDYBGWMCPM-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol

2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol (PubChem CID 64818640) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
PubChem CID64818640
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
SMILESNC(CO)(CSc1ncccc1Cl)C1CC1
InChIInChI=1S/C11H15ClN2OS/c12-9-2-1-5-14-10(9)16-7-11(13,6-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7,13H2
InChIKeyYXWLCDYBGWMCPM-UHFFFAOYSA-N
XLogP1.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol with MolForge

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Related Compounds

2-((5-Chloro-2-pyridinyl)thio)ethanol
CID 2774937
(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 124506944
2-Amino-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
CID 64805762
2-Cyclopropyl-2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64805965
2-Cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64806177
2-Amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64807631
2-Amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
CID 64807838
2-Amino-2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64808261
3-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 79727853
1-Amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol
CID 104643466
1-[(5-Chloropyridin-2-yl)sulfanyl]-3-fluoropropan-2-ol
CID 165593829
1-[(3-Chloropyridin-2-yl)sulfanyl]-3-fluoropropan-2-ol
CID 165601415

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol (CID 64818640) is 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol is NC(CO)(CSc1ncccc1Cl)C1CC1.
What is the InChIKey of 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol?
The InChIKey is YXWLCDYBGWMCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-9-2-1-5-14-10(9)16-7-11(13,6-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7,13H2.
What are the key properties of 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol?
2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol has a molecular weight of 258.77 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 64818640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).