2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol

C11H25NO3S — CID 115901030

IUPAC2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-9(2)11(4,13)8-12-10(3)7-16(5,14)15/h9-10,12-13H,6-8H2,1-5H3
InChIKeySJCPYPCHQBIFEG-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.81
Rot. Bonds7

About 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol

2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol (PubChem CID 115901030) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
PubChem CID115901030
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-9(2)11(4,13)8-12-10(3)7-16(5,14)15/h9-10,12-13H,6-8H2,1-5H3
InChIKeySJCPYPCHQBIFEG-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784
2,2,4-trimethyl-N-(1-methylsulfonylpropan-2-yl)pentan-1-amine
CID 115901432
2-ethyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 115901167
(2S,3R)-2,3-dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
CID 97350854
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642223
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol (CID 115901030) is 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol is CCC(C)C(C)(O)CNC(C)CS(C)(=O)=O.
What is the InChIKey of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The InChIKey is SJCPYPCHQBIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-9(2)11(4,13)8-12-10(3)7-16(5,14)15/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 115901030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).