2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol

C11H25NO3S — CID 115901377

IUPAC2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-5-9(3)11(7-13)12-10(4)8-16(14,15)6-2/h9-13H,5-8H2,1-4H3
InChIKeyCYDUJLNZZVTWAL-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.81
Rot. Bonds8

About 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol

2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol (PubChem CID 115901377) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
PubChem CID115901377
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-5-9(3)11(7-13)12-10(4)8-16(14,15)6-2/h9-13H,5-8H2,1-4H3
InChIKeyCYDUJLNZZVTWAL-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
2-(heptan-4-ylamino)-3-methylpentan-1-ol
CID 115677280
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
CID 91339414

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol?
The IUPAC name of 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol (CID 115901377) is 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol?
The canonical SMILES for 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol is CCC(C)C(CO)NC(C)CS(=O)(=O)CC.
What is the InChIKey of 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol?
The InChIKey is CYDUJLNZZVTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-9(3)11(7-13)12-10(4)8-16(14,15)6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol?
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 115901377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).