3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol

C17H29NOS — CID 107772462

IUPAC3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol
SMILESCCNC(CSC(C)C(C)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NOS/c1-7-18-16(10-20-15(6)14(5)19)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18-19H,7,10H2,1-6H3
InChIKeyFZTJBDIHUYVKEA-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.76
Rot. Bonds7

About 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol

3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol (PubChem CID 107772462) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol
PubChem CID107772462
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol
SMILESCCNC(CSC(C)C(C)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NOS/c1-7-18-16(10-20-15(6)14(5)19)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18-19H,7,10H2,1-6H3
InChIKeyFZTJBDIHUYVKEA-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol (CID 107772462) is 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol is CCNC(CSC(C)C(C)O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol?
The InChIKey is FZTJBDIHUYVKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-7-18-16(10-20-15(6)14(5)19)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18-19H,7,10H2,1-6H3.
What are the key properties of 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol?
3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol has a molecular weight of 295.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).