2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol

C15H24N2OS — CID 102926682

IUPAC2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CSc1cc(C)cc(C)n1)C1CC1
InChIInChI=1S/C15H24N2OS/c1-4-16-15(9-18,13-5-6-13)10-19-14-8-11(2)7-12(3)17-14/h7-8,13,16,18H,4-6,9-10H2,1-3H3
InChIKeyIDSKYDRONAXYOL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.54
Rot. Bonds7

About 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol (PubChem CID 102926682) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol
PubChem CID102926682
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CSc1cc(C)cc(C)n1)C1CC1
InChIInChI=1S/C15H24N2OS/c1-4-16-15(9-18,13-5-6-13)10-19-14-8-11(2)7-12(3)17-14/h7-8,13,16,18H,4-6,9-10H2,1-3H3
InChIKeyIDSKYDRONAXYOL-UHFFFAOYSA-N
XLogP2.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol (CID 102926682) is 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol is CCNC(CO)(CSc1cc(C)cc(C)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol?
The InChIKey is IDSKYDRONAXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-16-15(9-18,13-5-6-13)10-19-14-8-11(2)7-12(3)17-14/h7-8,13,16,18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol has a molecular weight of 280.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 102926682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).