2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol

C11H25NO3S — CID 106293022

IUPAC2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-11(4,13)9-12-7-8-16(14,15)10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyNHBDMYYMSIRDIX-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.95
Rot. Bonds8

About 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol

2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol (PubChem CID 106293022) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
PubChem CID106293022
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-11(4,13)9-12-7-8-16(14,15)10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyNHBDMYYMSIRDIX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol (CID 106293022) is 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol is CCCC(C)(O)CNCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
The InChIKey is NHBDMYYMSIRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-6-11(4,13)9-12-7-8-16(14,15)10(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol?
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-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-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol is sourced from PubChem (CID 106293022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).