4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol

C9H21NO3S — CID 107152409

IUPAC4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(2)6-9(11)7-10-4-5-14(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeySPHOXBBARPZWSN-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.03
Rot. Bonds7

About 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol

4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol (PubChem CID 107152409) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
PubChem CID107152409
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(2)6-9(11)7-10-4-5-14(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeySPHOXBBARPZWSN-UHFFFAOYSA-N
XLogP0.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.03
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-chloro-4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107155996
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
1-(3-fluoropropylamino)-4-methylpentan-2-ol
CID 107152341
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
2-methyl-3-(2-methylsulfonylethylamino)propanenitrile
CID 60918811
N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
CID 103834354
1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
CID 115476733
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol (CID 107152409) is 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol is CC(C)CC(O)CNCCS(C)(=O)=O.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol?
The InChIKey is SPHOXBBARPZWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)6-9(11)7-10-4-5-14(3,12)13/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol?
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol is sourced from PubChem (CID 107152409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).