2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol

C11H25NO3S — CID 79859400

IUPAC2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-11(6-2,10-13)9-12(3)7-8-16(4,14)15/h13H,5-10H2,1-4H3
InChIKeyQKILTSVBNBEKHD-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.76
Rot. Bonds8

About 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol

2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol (PubChem CID 79859400) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
PubChem CID79859400
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-11(6-2,10-13)9-12(3)7-8-16(4,14)15/h13H,5-10H2,1-4H3
InChIKeyQKILTSVBNBEKHD-UHFFFAOYSA-N
XLogP0.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 79858152
2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
CID 62272397
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79858669
3-N-ethyl-1-N,2,2-trimethyl-1-N-(2-methylsulfonylethyl)butane-1,3-diamine
CID 79858101
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol (CID 79859400) is 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol?
The InChIKey is QKILTSVBNBEKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-11(6-2,10-13)9-12(3)7-8-16(4,14)15/h13H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 79859400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).