2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

C13H22N4O4S — CID 90622250

IUPAC2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1cnn(CC2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H22N4O4S/c1-16(22(2,19)20)10-13(18)15-12-7-14-17(9-12)8-11-3-5-21-6-4-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,18)
InChIKeyHTSDOMFZSBMTGG-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.14
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 90622250) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID90622250
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1cnn(CC2CCOCC2)c1)S(C)(=O)=O
InChIInChI=1S/C13H22N4O4S/c1-16(22(2,19)20)10-13(18)15-12-7-14-17(9-12)8-11-3-5-21-6-4-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,18)
InChIKeyHTSDOMFZSBMTGG-UHFFFAOYSA-N
XLogP0.14
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (CID 90622250) is 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is CN(CC(=O)Nc1cnn(CC2CCOCC2)c1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is HTSDOMFZSBMTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-16(22(2,19)20)10-13(18)15-12-7-14-17(9-12)8-11-3-5-21-6-4-11/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,18).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90622250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).