N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide

C14H23NO2S — CID 146273865

IUPACN-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCCCc1ccc(O)cc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)18(17)15-11-5-4-6-12-7-9-13(16)10-8-12/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyBWHVLAVQRUAXAC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.77
Rot. Bonds6

About N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide

N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide (PubChem CID 146273865) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide
PubChem CID146273865
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCCCc1ccc(O)cc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)18(17)15-11-5-4-6-12-7-9-13(16)10-8-12/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyBWHVLAVQRUAXAC-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
tert-butyl 4-[2-(tert-butylsulfinylamino)ethyl]benzoate
CID 123323833
4-(4,4-dimethylpentyl)phenol
CID 20692467
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
sodium;hydrogen sulfite;4-nonylphenol
CID 174890195
N-(3-bromopropyl)-2-methylpropane-2-sulfinamide
CID 88996323
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-(5,5-dimethyloctyl)phenol
CID 175139014
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
tris(4-octylphenol);propane
CID 90866185

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide (CID 146273865) is N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCCCCc1ccc(O)cc1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BWHVLAVQRUAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-14(2,3)18(17)15-11-5-4-6-12-7-9-13(16)10-8-12/h7-10,15-16H,4-6,11H2,1-3H3.
What are the key properties of N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide?
N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146273865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).