N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide

C11H22N2O2S — CID 107906995

IUPACN-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1C=CCCC1)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-11(2,13-16(3,14)15)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,4,6,8-9H2,1-3H3
InChIKeyGGWZYACZMFMYQE-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.01
Rot. Bonds5

About N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 107906995) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID107906995
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1C=CCCC1)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-11(2,13-16(3,14)15)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,4,6,8-9H2,1-3H3
InChIKeyGGWZYACZMFMYQE-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 107906995) is N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1C=CCCC1)NS(C)(=O)=O.
What is the InChIKey of N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is GGWZYACZMFMYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,13-16(3,14)15)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,4,6,8-9H2,1-3H3.
What are the key properties of N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 107906995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).