3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide

C10H22N2O4S — CID 113238914

IUPAC3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
SMILESCN(CCS(=O)(=O)CCC(N)=O)C(C)(C)CO
InChIInChI=1S/C10H22N2O4S/c1-10(2,8-13)12(3)5-7-17(15,16)6-4-9(11)14/h13H,4-8H2,1-3H3,(H2,11,14)
InChIKeyLTAVZMOQUNZNIG-UHFFFAOYSA-N
MW266.36 g/mol
LogP-1.02
Rot. Bonds8

About 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide

3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide (PubChem CID 113238914) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
PubChem CID113238914
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
SMILESCN(CCS(=O)(=O)CCC(N)=O)C(C)(C)CO
InChIInChI=1S/C10H22N2O4S/c1-10(2,8-13)12(3)5-7-17(15,16)6-4-9(11)14/h13H,4-8H2,1-3H3,(H2,11,14)
InChIKeyLTAVZMOQUNZNIG-UHFFFAOYSA-N
XLogP-1.02
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
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3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 47057115
2-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]-3-methylbutanoic acid
CID 105354034
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
CID 94477615
2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
CID 164644258
3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide
CID 66224515

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide (CID 113238914) is 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide is CN(CCS(=O)(=O)CCC(N)=O)C(C)(C)CO.
What is the InChIKey of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide?
The InChIKey is LTAVZMOQUNZNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,8-13)12(3)5-7-17(15,16)6-4-9(11)14/h13H,4-8H2,1-3H3,(H2,11,14).
What are the key properties of 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide?
3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide has a molecular weight of 266.36 g/mol, XLogP of -1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide is sourced from PubChem (CID 113238914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).