1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene

C12H24N2O2S — CID 131891661

IUPAC1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
SMILESCC(NS(=O)(=O)N(C)C(C)C)C1=CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)14(4)17(15,16)13-11(3)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyPOBPLWMNYYALEA-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene

1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene (PubChem CID 131891661) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene.

Molecular Properties

Compound Name1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
PubChem CID131891661
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
SMILESCC(NS(=O)(=O)N(C)C(C)C)C1=CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)14(4)17(15,16)13-11(3)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyPOBPLWMNYYALEA-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
[1-(cyclohepten-1-yl)-2-methylsulfonylpropyl]hydrazine
CID 106650275
N-propan-2-ylcyclohexene-1-sulfonamide
CID 155332302
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
CID 69048522
1-(cyclohexen-1-yl)ethyl methyl carbonate
CID 102371125
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene?
The IUPAC name of 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene (CID 131891661) is 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene.
What is the SMILES notation for 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene?
The canonical SMILES for 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene is CC(NS(=O)(=O)N(C)C(C)C)C1=CCCCC1.
What is the InChIKey of 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene?
The InChIKey is POBPLWMNYYALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)14(4)17(15,16)13-11(3)12-8-6-5-7-9-12/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene?
1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene has a molecular weight of 260.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene is sourced from PubChem (CID 131891661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).