2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide

C9H18N2O4S — CID 53499014

IUPAC2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCOC1)S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-11(16(2,13)14)6-9(12)10-5-8-3-4-15-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyDUMJPPRCJBJWPT-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.97
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 53499014) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide
PubChem CID53499014
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCOC1)S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-11(16(2,13)14)6-9(12)10-5-8-3-4-15-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyDUMJPPRCJBJWPT-UHFFFAOYSA-N
XLogP-0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide (CID 53499014) is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide is CN(CC(=O)NCC1CCOC1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is DUMJPPRCJBJWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(16(2,13)14)6-9(12)10-5-8-3-4-15-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 250.32 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 53499014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).