N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

C16H28N2O3S — CID 113065929

IUPACN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)CCC1=CCCCC1
InChIInChI=1S/C16H28N2O3S/c1-22(20,21)18(12-10-14-6-3-2-4-7-14)13-11-17-16(19)15-8-5-9-15/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyVVLYVPYWAQCXQB-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.05
Rot. Bonds8

About N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (PubChem CID 113065929) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
PubChem CID113065929
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)CCC1=CCCCC1
InChIInChI=1S/C16H28N2O3S/c1-22(20,21)18(12-10-14-6-3-2-4-7-14)13-11-17-16(19)15-8-5-9-15/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyVVLYVPYWAQCXQB-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.05
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-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (CID 113065929) is N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The InChIKey is VVLYVPYWAQCXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-22(20,21)18(12-10-14-6-3-2-4-7-14)13-11-17-16(19)15-8-5-9-15/h6,15H,2-5,7-13H2,1H3,(H,17,19).
What are the key properties of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide has a molecular weight of 328.48 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).