N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide

C18H30N2O2S — CID 141417025

IUPACN-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide
SMILESCC(C)(C)NCCOc1cccc(NS(=O)C2CCCCC2)c1
InChIInChI=1S/C18H30N2O2S/c1-18(2,3)19-12-13-22-16-9-7-8-15(14-16)20-23(21)17-10-5-4-6-11-17/h7-9,14,17,19-20H,4-6,10-13H2,1-3H3
InChIKeyUOFRPGISZXBDAC-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.86
Rot. Bonds7

About N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide

N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide (PubChem CID 141417025) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide.

Molecular Properties

Compound NameN-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide
PubChem CID141417025
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide
SMILESCC(C)(C)NCCOc1cccc(NS(=O)C2CCCCC2)c1
InChIInChI=1S/C18H30N2O2S/c1-18(2,3)19-12-13-22-16-9-7-8-15(14-16)20-23(21)17-10-5-4-6-11-17/h7-9,14,17,19-20H,4-6,10-13H2,1-3H3
InChIKeyUOFRPGISZXBDAC-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2865974
N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
CID 139638959
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
CID 3032075
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54809683
4-[3-[2-(tert-butylamino)ethylamino]phenoxy]butanenitrile
CID 107445357
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide?
The IUPAC name of N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide (CID 141417025) is N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide.
What is the SMILES notation for N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide?
The canonical SMILES for N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide is CC(C)(C)NCCOc1cccc(NS(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide?
The InChIKey is UOFRPGISZXBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-18(2,3)19-12-13-22-16-9-7-8-15(14-16)20-23(21)17-10-5-4-6-11-17/h7-9,14,17,19-20H,4-6,10-13H2,1-3H3.
What are the key properties of N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide?
N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide has a molecular weight of 338.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(tert-butylamino)ethoxy]phenyl]cyclohexanesulfinamide is sourced from PubChem (CID 141417025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).