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

C16H28N2O4S — CID 113065889

IUPACN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCC1=CCCCC1
InChIInChI=1S/C16H28N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyVHBITPQPRHWSRV-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.43
Rot. Bonds8

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

N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide (PubChem CID 113065889) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
PubChem CID113065889
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCO1)CCC1=CCCCC1
InChIInChI=1S/C16H28N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/h6,15H,2-5,7-13H2,1H3,(H,17,19)
InChIKeyVHBITPQPRHWSRV-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]cyclobutanecarboxamide
CID 113065929
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
CID 107487378
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-(5-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149184
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide (CID 113065889) is N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCO1)CCC1=CCCCC1.
What is the InChIKey of N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is VHBITPQPRHWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-23(20,21)18(11-9-14-6-3-2-4-7-14)12-10-17-16(19)15-8-5-13-22-15/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]oxolane-2-carboxamide?
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113065889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).