N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide

C10H20N2O2S — CID 95626008

IUPACN-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)[C@H]1C=CCCC1
InChIInChI=1S/C10H20N2O2S/c1-12(9-8-11-15(2,13)14)10-6-4-3-5-7-10/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyOXBSRAGECROEAZ-JTQLQIEISA-N
MW232.35 g/mol
LogP0.58
Rot. Bonds5

About N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide

N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide (PubChem CID 95626008) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide
PubChem CID95626008
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)[C@H]1C=CCCC1
InChIInChI=1S/C10H20N2O2S/c1-12(9-8-11-15(2,13)14)10-6-4-3-5-7-10/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyOXBSRAGECROEAZ-JTQLQIEISA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.58
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-[2-[(4,4-diamino-3-methylcyclohexa-2,5-dien-1-yl)-ethylamino]ethyl]methanesulfonamide
CID 22016322
1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
CID 66899353
(6-butyl-1-methylsulfonyl-2H-pyridin-2-yl)methanamine
CID 67811697
(1-methylsulfonyl-6-propyl-2H-pyridin-2-yl)methanamine
CID 67814427
N-[1-[1-amino-4-(diethylamino)cyclohexa-2,5-dien-1-yl]ethyl]methanesulfonamide
CID 70599655
N-[2-(3-cyclohexa-1,4-dien-1-ylpropylamino)ethyl]methanesulfonamide
CID 117713277
N-[2-(3-cyclohexa-1,4-dien-1-ylpropylamino)cyclohexyl]methanesulfonamide
CID 117713301
methanesulfonamide;prop-1-ene;2-[(E)-prop-1-enyl]pyrrolidine
CID 143261417
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane;N-methyl-N-propan-2-ylmethanesulfinamide
CID 167493575
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
CID 167494004
N-cyclohex-2-en-1-ylmethanesulfonamide;ethane
CID 172287631
3-Butyl-7-methylsulfonyl-2,7-diazabicyclo[4.1.0]hept-4-ene
CID 12521910

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide (CID 95626008) is N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)[C@H]1C=CCCC1.
What is the InChIKey of N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide?
The InChIKey is OXBSRAGECROEAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12(9-8-11-15(2,13)14)10-6-4-3-5-7-10/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide?
N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 95626008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).