N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide

C17H25NO2S — CID 139638959

IUPACN-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
SMILESC=CC(C)(C)Oc1ccc(NS(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-4-17(2,3)20-15-12-10-14(11-13-15)18-21(19)16-8-6-5-7-9-16/h4,10-13,16,18H,1,5-9H2,2-3H3
InChIKeyBVDWNMZTXDRBKI-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide

N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide (PubChem CID 139638959) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide.

Molecular Properties

Compound NameN-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
PubChem CID139638959
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
SMILESC=CC(C)(C)Oc1ccc(NS(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-4-17(2,3)20-15-12-10-14(11-13-15)18-21(19)16-8-6-5-7-9-16/h4,10-13,16,18H,1,5-9H2,2-3H3
InChIKeyBVDWNMZTXDRBKI-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide?
The IUPAC name of N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide (CID 139638959) is N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide.
What is the SMILES notation for N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide?
The canonical SMILES for N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide is C=CC(C)(C)Oc1ccc(NS(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide?
The InChIKey is BVDWNMZTXDRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-4-17(2,3)20-15-12-10-14(11-13-15)18-21(19)16-8-6-5-7-9-16/h4,10-13,16,18H,1,5-9H2,2-3H3.
What are the key properties of N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide?
N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide has a molecular weight of 307.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide is sourced from PubChem (CID 139638959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).