[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol

C12H19NO3S — CID 115229349

IUPAC[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
SMILESCC(C)S(=O)(=O)c1ccc(CCNCO)cc1
InChIInChI=1S/C12H19NO3S/c1-10(2)17(15,16)12-5-3-11(4-6-12)7-8-13-9-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyUHSMDSKRVSETMB-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.95
Rot. Bonds6

About [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol

[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol (PubChem CID 115229349) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
PubChem CID115229349
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
SMILESCC(C)S(=O)(=O)c1ccc(CCNCO)cc1
InChIInChI=1S/C12H19NO3S/c1-10(2)17(15,16)12-5-3-11(4-6-12)7-8-13-9-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyUHSMDSKRVSETMB-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
CID 110790782
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
1-(2,2-dimethylpropyl)-3-[2-(4-propan-2-ylsulfonylphenyl)ethyl]urea
CID 110776126
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
[(4-propan-2-ylsulfonylphenyl)methylamino]methanethiol
CID 115227962
1-pent-3-ynyl-4-propan-2-ylsulfonylbenzene
CID 83927091
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 98033362
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol?
The IUPAC name of [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol (CID 115229349) is [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol.
What is the SMILES notation for [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol?
The canonical SMILES for [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol is CC(C)S(=O)(=O)c1ccc(CCNCO)cc1.
What is the InChIKey of [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol?
The InChIKey is UHSMDSKRVSETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10(2)17(15,16)12-5-3-11(4-6-12)7-8-13-9-14/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol?
[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol has a molecular weight of 257.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol is sourced from PubChem (CID 115229349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).