1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol

C8H19NO3S — CID 115476733

IUPAC1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
SMILESCC(C)CNCC(O)CS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)4-9-5-8(10)6-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyVUXGCEKUIKEKGF-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.36
Rot. Bonds6

About 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol

1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol (PubChem CID 115476733) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
PubChem CID115476733
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
SMILESCC(C)CNCC(O)CS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)4-9-5-8(10)6-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyVUXGCEKUIKEKGF-UHFFFAOYSA-N
XLogP-0.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-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

N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
2-(hydroxymethyl)-2-[(2-hydroxy-3-methylsulfonylpropyl)amino]propane-1,3-diol
CID 118459124
CID 175939227
CID 175939227
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(3-bromophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476729
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
3-[(2-amino-2-oxoethyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 161312373
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
[3-[(2-amino-2-oxoethyl)amino]-2-hydroxypropyl]sulfonyloxidanium
CID 161312374

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol (CID 115476733) is 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol is CC(C)CNCC(O)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol?
The InChIKey is VUXGCEKUIKEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)4-9-5-8(10)6-13(3,11)12/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol?
1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol has a molecular weight of 209.31 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 115476733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).