3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol

C11H15ClN2OS — CID 64820656

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSc1ccc(Cl)cn1)NC1CC1
InChIInChI=1S/C11H15ClN2OS/c12-8-1-4-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h1,4-5,9-10,14-15H,2-3,6-7H2
InChIKeyWEQYTKMFBNGBOV-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.94
Rot. Bonds6

About 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol (PubChem CID 64820656) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
PubChem CID64820656
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
SMILESOCC(CSc1ccc(Cl)cn1)NC1CC1
InChIInChI=1S/C11H15ClN2OS/c12-8-1-4-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h1,4-5,9-10,14-15H,2-3,6-7H2
InChIKeyWEQYTKMFBNGBOV-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol (CID 64820656) is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol is OCC(CSc1ccc(Cl)cn1)NC1CC1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol?
The InChIKey is WEQYTKMFBNGBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-8-1-4-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h1,4-5,9-10,14-15H,2-3,6-7H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol?
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol has a molecular weight of 258.77 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64820656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).