N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide

C10H18N2O3S — CID 71971012

IUPACN-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NC1C=CCCC1
InChIInChI=1S/C10H18N2O3S/c1-8(12-16(2,14)15)10(13)11-9-6-4-3-5-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySCRKPFPTUIGOIL-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.15
Rot. Bonds4

About N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide

N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide (PubChem CID 71971012) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide
PubChem CID71971012
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NC1C=CCCC1
InChIInChI=1S/C10H18N2O3S/c1-8(12-16(2,14)15)10(13)11-9-6-4-3-5-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySCRKPFPTUIGOIL-UHFFFAOYSA-N
XLogP0.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.15
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-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide (CID 71971012) is N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide?
The InChIKey is SCRKPFPTUIGOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-8(12-16(2,14)15)10(13)11-9-6-4-3-5-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13).
What are the key properties of N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide?
N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide has a molecular weight of 246.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 71971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).