N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide

C11H22N2O3S — CID 115740888

IUPACN-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide
SMILESCC(CCNC(=O)CC1CNCCO1)S(C)=O
InChIInChI=1S/C11H22N2O3S/c1-9(17(2)15)3-4-13-11(14)7-10-8-12-5-6-16-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyZPBVACBFXBZEHB-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.36
Rot. Bonds6

About N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide

N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide (PubChem CID 115740888) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide
PubChem CID115740888
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide
SMILESCC(CCNC(=O)CC1CNCCO1)S(C)=O
InChIInChI=1S/C11H22N2O3S/c1-9(17(2)15)3-4-13-11(14)7-10-8-12-5-6-16-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyZPBVACBFXBZEHB-UHFFFAOYSA-N
XLogP-0.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 103809182
2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727725
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-2-ylethanone
CID 66433200
2-Morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
3-Methylsulfanyl-2-morpholin-2-ylpropanamide
CID 174486394
3-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)propanamide
CID 55252022
3-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63870280
N-(3-methylsulfonylpropyl)-3-piperidin-4-yloxypropanamide
CID 63877361
N-(3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
CID 63957357
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-morpholin-2-ylacetamide
CID 66426358
N-(1-methylsulfonylpropan-2-yl)-2-morpholin-2-ylacetamide
CID 66426421
2-Morpholin-2-yl-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 66426816

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide (CID 115740888) is N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide is CC(CCNC(=O)CC1CNCCO1)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide?
The InChIKey is ZPBVACBFXBZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(17(2)15)3-4-13-11(14)7-10-8-12-5-6-16-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide?
N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide has a molecular weight of 262.37 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 115740888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).