N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C13H22N2O4S — CID 71997759

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1CCCCC1OCCNS(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H22N2O4S/c1-11-4-2-3-5-13(11)18-9-7-14-20(16,17)10-12-6-8-19-15-12/h6,8,11,13-14H,2-5,7,9-10H2,1H3
InChIKeyRBVPZFZFCHTSBO-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997759) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997759
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1CCCCC1OCCNS(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H22N2O4S/c1-11-4-2-3-5-13(11)18-9-7-14-20(16,17)10-12-6-8-19-15-12/h6,8,11,13-14H,2-5,7,9-10H2,1H3
InChIKeyRBVPZFZFCHTSBO-UHFFFAOYSA-N
XLogP1.69
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997759) is N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC1CCCCC1OCCNS(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RBVPZFZFCHTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-11-4-2-3-5-13(11)18-9-7-14-20(16,17)10-12-6-8-19-15-12/h6,8,11,13-14H,2-5,7,9-10H2,1H3.
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).