N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide

C7H16N2O4S — CID 59132033

IUPACN-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide
SMILESCC(=O)NCC(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-6(10)8-4-7(11)5-9(2)14(3,12)13/h7,11H,4-5H2,1-3H3,(H,8,10)
InChIKeyDNVNQSGDEJTOLQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.63
Rot. Bonds5

About N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide

N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide (PubChem CID 59132033) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide
PubChem CID59132033
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC NameN-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide
SMILESCC(=O)NCC(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-6(10)8-4-7(11)5-9(2)14(3,12)13/h7,11H,4-5H2,1-3H3,(H,8,10)
InChIKeyDNVNQSGDEJTOLQ-UHFFFAOYSA-N
XLogP-1.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide (CID 59132033) is N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide is CC(=O)NCC(O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide?
The InChIKey is DNVNQSGDEJTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-6(10)8-4-7(11)5-9(2)14(3,12)13/h7,11H,4-5H2,1-3H3,(H,8,10).
What are the key properties of N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide?
N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide has a molecular weight of 224.28 g/mol, XLogP of -1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]acetamide is sourced from PubChem (CID 59132033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).