3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide

C9H18N2O4S — CID 79858879

IUPAC3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O4S/c1-11(4-6-16(2,13)14)8(12)9(10)3-5-15-7-9/h3-7,10H2,1-2H3
InChIKeyNXIWXLIBMZLYRX-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.39
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide

3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide (PubChem CID 79858879) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
PubChem CID79858879
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O4S/c1-11(4-6-16(2,13)14)8(12)9(10)3-5-15-7-9/h3-7,10H2,1-2H3
InChIKeyNXIWXLIBMZLYRX-UHFFFAOYSA-N
XLogP-1.39
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 64892140
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
1-(3-aminooxolan-3-yl)-3-propylsulfonylpropan-1-one
CID 106736519
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
CID 82966183
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide (CID 79858879) is 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide is CN(CCS(C)(=O)=O)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The InChIKey is NXIWXLIBMZLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(4-6-16(2,13)14)8(12)9(10)3-5-15-7-9/h3-7,10H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 79858879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).