1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol

C10H23NO3S — CID 79006238

IUPAC1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCCS(=O)(=O)CCCN(C)CC(C)(C)O
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3
InChIKeyBYURIKRUJWLCDH-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.51
Rot. Bonds7

About 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol

1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 79006238) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol
PubChem CID79006238
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCCS(=O)(=O)CCCN(C)CC(C)(C)O
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3
InChIKeyBYURIKRUJWLCDH-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
CID 111336402
N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine
CID 158256808
2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid
CID 65098353
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanal
CID 79390637
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 113321852
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188
1-[2-methoxyethyl(methyl)amino]-2-methylpropan-2-ol
CID 61427444
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]acetamide
CID 79038056
2-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol (CID 79006238) is 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol is CCS(=O)(=O)CCCN(C)CC(C)(C)O.
What is the InChIKey of 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is BYURIKRUJWLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-15(13,14)8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3.
What are the key properties of 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol?
1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79006238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).