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

C11H25NO3S — CID 115920443

IUPAC2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-5-7-11(4,9-13)12-10(3)8-16(14,15)6-2/h10,12-13H,5-9H2,1-4H3
InChIKeyLADFQRQXVMSGTG-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.95
Rot. Bonds8

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

2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol (PubChem CID 115920443) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol
PubChem CID115920443
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H25NO3S/c1-5-7-11(4,9-13)12-10(3)8-16(14,15)6-2/h10,12-13H,5-9H2,1-4H3
InChIKeyLADFQRQXVMSGTG-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
CID 115920407
2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736
2-(heptan-2-ylamino)-2-methylbutan-1-ol
CID 111434889
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 115920460
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
CID 115920469
2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
CID 115920447
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol?
The IUPAC name of 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol (CID 115920443) is 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol?
The canonical SMILES for 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol is CCCC(C)(CO)NC(C)CS(=O)(=O)CC.
What is the InChIKey of 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol?
The InChIKey is LADFQRQXVMSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-7-11(4,9-13)12-10(3)8-16(14,15)6-2/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol?
2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 0.95, 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)-2-methylpentan-1-ol is sourced from PubChem (CID 115920443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).