2-(4-propan-2-ylsulfanylanilino)ethanol

C11H17NOS — CID 96671487

IUPAC2-(4-propan-2-ylsulfanylanilino)ethanol
SMILESCC(C)Sc1ccc(NCCO)cc1
InChIInChI=1S/C11H17NOS/c1-9(2)14-11-5-3-10(4-6-11)12-7-8-13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyKBSZKDAYNZMSNQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-propan-2-ylsulfanylanilino)ethanol

2-(4-propan-2-ylsulfanylanilino)ethanol (PubChem CID 96671487) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylanilino)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylanilino)ethanol
PubChem CID96671487
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-propan-2-ylsulfanylanilino)ethanol
SMILESCC(C)Sc1ccc(NCCO)cc1
InChIInChI=1S/C11H17NOS/c1-9(2)14-11-5-3-10(4-6-11)12-7-8-13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyKBSZKDAYNZMSNQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propan-2-ylsulfanylanilino)propane-1-thiol
CID 115224630
N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115226560
5-(4-propan-2-ylsulfanylanilino)pentanoic acid
CID 115218894
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
(E)-4-(4-propan-2-ylsulfanylanilino)but-2-enoic acid
CID 115236909
4-[(4-propan-2-ylsulfanylphenyl)methylamino]butan-1-ol
CID 115217612
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
2-(4-prop-2-enylsulfanylanilino)ethanol
CID 70456918
4-propan-2-ylsulfanylbenzenesulfinic acid
CID 82471686
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-[4-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414271

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylanilino)ethanol?
The IUPAC name of 2-(4-propan-2-ylsulfanylanilino)ethanol (CID 96671487) is 2-(4-propan-2-ylsulfanylanilino)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylanilino)ethanol?
The canonical SMILES for 2-(4-propan-2-ylsulfanylanilino)ethanol is CC(C)Sc1ccc(NCCO)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylanilino)ethanol?
The InChIKey is KBSZKDAYNZMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(2)14-11-5-3-10(4-6-11)12-7-8-13/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylanilino)ethanol?
2-(4-propan-2-ylsulfanylanilino)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylanilino)ethanol is sourced from PubChem (CID 96671487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).