2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide

C11H22N2O4S — CID 113149591

IUPAC2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-9(2)12-11(14)8-13(18(3,15)16)7-10-5-4-6-17-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyQPHSDSBLWWEYBH-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds6

About 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide

2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide (PubChem CID 113149591) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
PubChem CID113149591
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-9(2)12-11(14)8-13(18(3,15)16)7-10-5-4-6-17-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyQPHSDSBLWWEYBH-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113149668
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344913
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide (CID 113149591) is 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is QPHSDSBLWWEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(2)12-11(14)8-13(18(3,15)16)7-10-5-4-6-17-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide?
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113149591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).