1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol

C15H25NOS — CID 79390512

IUPAC1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCSc1ccc(C)cc1)CC(C)(C)O
InChIInChI=1S/C15H25NOS/c1-5-16(12-15(3,4)17)10-11-18-14-8-6-13(2)7-9-14/h6-9,17H,5,10-12H2,1-4H3
InChIKeyGKROKHASEJAZAR-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.18
Rot. Bonds7

About 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol (PubChem CID 79390512) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
PubChem CID79390512
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCSc1ccc(C)cc1)CC(C)(C)O
InChIInChI=1S/C15H25NOS/c1-5-16(12-15(3,4)17)10-11-18-14-8-6-13(2)7-9-14/h6-9,17H,5,10-12H2,1-4H3
InChIKeyGKROKHASEJAZAR-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol (CID 79390512) is 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol is CCN(CCSc1ccc(C)cc1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol?
The InChIKey is GKROKHASEJAZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-16(12-15(3,4)17)10-11-18-14-8-6-13(2)7-9-14/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).