2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol

C17H27NOS — CID 64806798

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
SMILESCCNC(CO)(CSc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NOS/c1-4-18-17(11-19,15-7-8-15)12-20-16-9-5-14(6-10-16)13(2)3/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3
InChIKeyXXGYUSMUDIBPOZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.65
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol (PubChem CID 64806798) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
PubChem CID64806798
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
SMILESCCNC(CO)(CSc1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NOS/c1-4-18-17(11-19,15-7-8-15)12-20-16-9-5-14(6-10-16)13(2)3/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3
InChIKeyXXGYUSMUDIBPOZ-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol (CID 64806798) is 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol is CCNC(CO)(CSc1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol?
The InChIKey is XXGYUSMUDIBPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-18-17(11-19,15-7-8-15)12-20-16-9-5-14(6-10-16)13(2)3/h5-6,9-10,13,15,18-19H,4,7-8,11-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 64806798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).