N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide

C10H22N2O4S — CID 54957526

IUPACN-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide
SMILESCOCC(C)NC(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-9(8-16-2)12-10(13)7-11-5-4-6-17(3,14)15/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKSRXXISXOHNZRK-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.84
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide

N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide (PubChem CID 54957526) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide
PubChem CID54957526
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide
SMILESCOCC(C)NC(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-9(8-16-2)12-10(13)7-11-5-4-6-17(3,14)15/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKSRXXISXOHNZRK-UHFFFAOYSA-N
XLogP-0.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.84
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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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide (CID 54957526) is N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide is COCC(C)NC(=O)CNCCCS(C)(=O)=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide?
The InChIKey is KSRXXISXOHNZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9(8-16-2)12-10(13)7-11-5-4-6-17(3,14)15/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide?
N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide has a molecular weight of 266.36 g/mol, XLogP of -0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide is sourced from PubChem (CID 54957526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).