1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol

C9H22N2O3S — CID 106147426

IUPAC1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-9(12,8-11(2)3)7-10-5-6-15(4,13)14/h10,12H,5-8H2,1-4H3
InChIKeyZYCHPNIOKSKSNJ-UHFFFAOYSA-N
MW238.35 g/mol
LogP-1.07
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol (PubChem CID 106147426) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol
PubChem CID106147426
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-9(12,8-11(2)3)7-10-5-6-15(4,13)14/h10,12H,5-8H2,1-4H3
InChIKeyZYCHPNIOKSKSNJ-UHFFFAOYSA-N
XLogP-1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-propylacetamide
CID 106147606
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492
tert-butyl N-tert-butyl-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]carbamate
CID 106144990
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 106147667
3-[(3-methylsulfonylpropylamino)methyl]pentan-3-ol
CID 65111392
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol (CID 106147426) is 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol is CN(C)CC(C)(O)CNCCS(C)(=O)=O.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol?
The InChIKey is ZYCHPNIOKSKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(12,8-11(2)3)7-10-5-6-15(4,13)14/h10,12H,5-8H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol has a molecular weight of 238.35 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol is sourced from PubChem (CID 106147426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).