N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

C12H22N2O3S — CID 30464358

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-14(18(2,16)17)10-12(15)13-9-8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,13,15)
InChIKeyHAVCDAURKDZNHJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.88
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464358) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464358
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-14(18(2,16)17)10-12(15)13-9-8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,13,15)
InChIKeyHAVCDAURKDZNHJ-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 2219100
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785466
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(2-methylpropyl)ethanediamide
CID 3748694
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46276018
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-(methylsulfonyl)piperidin-4-yl)methyl)oxalamide
CID 49682242
N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide
CID 123401544
1-[4-[[2-(Sulfinatoamino)acetyl]amino]butyl]cyclohexa-1,4-diene
CID 130468524
N-hept-6-enyl-2-(methanesulfonamido)acetamide
CID 146374350

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464358) is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is HAVCDAURKDZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(18(2,16)17)10-12(15)13-9-8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 274.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).