N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide

C9H19NO4S — CID 176706435

IUPACN-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCOC(C)(C)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,14-3)7-10-8(11)5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeySATCBAVUAIRBBX-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.04
Rot. Bonds6

About N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide

N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide (PubChem CID 176706435) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
PubChem CID176706435
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCOC(C)(C)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,14-3)7-10-8(11)5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeySATCBAVUAIRBBX-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-tert-butylsulfonylethoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 157668021
2-methyl-N-[2-(2-oxopropylsulfonyl)ethyl]propanamide
CID 169987153
Methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate
CID 177106226
2-hydroxy-2-methyl-3-methylsulfonyl-N-propan-2-ylpropanamide
CID 177122893
2-ethoxy-N-(3-methylsulfonylpropyl)acetamide
CID 61381752
N-[2-(2-aminoethoxy)ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 64012857
N-(3-aminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 64034826
Methyl 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfonyl-2-methylpropanoate
CID 64245855
Methyl 3-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonyl-2-methylpropanoate
CID 64247423
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 65109700
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65110398
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65110399

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide (CID 176706435) is N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide is COC(C)(C)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is SATCBAVUAIRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,14-3)7-10-8(11)5-6-15(4,12)13/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide?
N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 176706435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).