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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Related Compounds

2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propan-1-ol
CID 64808598
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807982
2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64808097
2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784607
2-cyclopropyl-2-(cyclopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanenitrile
CID 102925670
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
CID 64806798
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
CID 102925687
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925969
2-cyclopropyl-2-(ethylamino)-3-(2-methylpropylsulfanyl)propan-1-ol
CID 64820599
2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807979
ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 102925731
2-[2-(bromomethyl)-2-propylpentyl]sulfanyl-4,6-dimethylpyridine
CID 102924463

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).