3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide

C23H35N3O4S — CID 118179804

IUPAC3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(NCC3CCCCC3)cc2)CCC2(CCNCC2)C1
InChIInChI=1S/C23H35N3O4S/c27-21(26-28)23(11-10-22(17-23)12-14-24-15-13-22)31(29,30)20-8-6-19(7-9-20)25-16-18-4-2-1-3-5-18/h6-9,18,24-25,28H,1-5,10-17H2,(H,26,27)
InChIKeyKHRJSHHVLKJJHY-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.25
Rot. Bonds6

About 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide

3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118179804) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118179804
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(NCC3CCCCC3)cc2)CCC2(CCNCC2)C1
InChIInChI=1S/C23H35N3O4S/c27-21(26-28)23(11-10-22(17-23)12-14-24-15-13-22)31(29,30)20-8-6-19(7-9-20)25-16-18-4-2-1-3-5-18/h6-9,18,24-25,28H,1-5,10-17H2,(H,26,27)
InChIKeyKHRJSHHVLKJJHY-UHFFFAOYSA-N
XLogP3.25
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(difluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179870
(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179842
N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118159020
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118734984
4-[3-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]benzoic acid
CID 118179857
3-[3-chloro-4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179865
[2-chloro-4-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenyl] 4-methoxybenzoate
CID 118179860
N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118179839
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
CID 160744990
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172705888

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide (CID 118179804) is 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(NCC3CCCCC3)cc2)CCC2(CCNCC2)C1.
What is the InChIKey of 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is KHRJSHHVLKJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c27-21(26-28)23(11-10-22(17-23)12-14-24-15-13-22)31(29,30)20-8-6-19(7-9-20)25-16-18-4-2-1-3-5-18/h6-9,18,24-25,28H,1-5,10-17H2,(H,26,27).
What are the key properties of 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethylamino)phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118179804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).