3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide

C12H24N2O5S — CID 114952907

IUPAC3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide
SMILESCN(CCS(=O)(=O)CCC(N)=O)CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O5S/c1-14(10-12(16)3-6-19-7-4-12)5-9-20(17,18)8-2-11(13)15/h16H,2-10H2,1H3,(H2,13,15)
InChIKeyPEYBEUUPLGNIPG-UHFFFAOYSA-N
MW308.40 g/mol
LogP-1.25
Rot. Bonds8

About 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide

3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide (PubChem CID 114952907) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide
PubChem CID114952907
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide
SMILESCN(CCS(=O)(=O)CCC(N)=O)CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O5S/c1-14(10-12(16)3-6-19-7-4-12)5-9-20(17,18)8-2-11(13)15/h16H,2-10H2,1H3,(H2,13,15)
InChIKeyPEYBEUUPLGNIPG-UHFFFAOYSA-N
XLogP-1.25
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide 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

4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
CID 114952749
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide (CID 114952907) is 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide is CN(CCS(=O)(=O)CCC(N)=O)CC1(O)CCOCC1.
What is the InChIKey of 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide?
The InChIKey is PEYBEUUPLGNIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-14(10-12(16)3-6-19-7-4-12)5-9-20(17,18)8-2-11(13)15/h16H,2-10H2,1H3,(H2,13,15).
What are the key properties of 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide?
3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide has a molecular weight of 308.40 g/mol, XLogP of -1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethylsulfonyl]propanamide is sourced from PubChem (CID 114952907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).