2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol

C8H20N2O3S — CID 79858152

IUPAC2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
SMILESCN(CCS(C)(=O)=O)CC(C)(N)CO
InChIInChI=1S/C8H20N2O3S/c1-8(9,7-11)6-10(2)4-5-14(3,12)13/h11H,4-7,9H2,1-3H3
InChIKeyKCCASZGKVKBZIQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP-1.33
Rot. Bonds6

About 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol

2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol (PubChem CID 79858152) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
PubChem CID79858152
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
SMILESCN(CCS(C)(=O)=O)CC(C)(N)CO
InChIInChI=1S/C8H20N2O3S/c1-8(9,7-11)6-10(2)4-5-14(3,12)13/h11H,4-7,9H2,1-3H3
InChIKeyKCCASZGKVKBZIQ-UHFFFAOYSA-N
XLogP-1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
CID 79859400
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79858669
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2,2-dimethyl-4-[methyl(2-methylsulfonylethyl)amino]butanethioamide
CID 79850638
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
2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 79859172
2-amino-2-methyl-5-(2-methylsulfonylethylsulfanyl)pentan-1-ol
CID 64808162
2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 64807333
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 79859382
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
CID 116693896

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol (CID 79858152) is 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol is CN(CCS(C)(=O)=O)CC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The InChIKey is KCCASZGKVKBZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(9,7-11)6-10(2)4-5-14(3,12)13/h11H,4-7,9H2,1-3H3.
What are the key properties of 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol has a molecular weight of 224.33 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol is sourced from PubChem (CID 79858152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).