(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide

C15H20N2O6S — CID 44576631

IUPAC(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)NO)OCCCO3)cc1
InChIInChI=1S/C15H20N2O6S/c1-11-3-5-12(6-4-11)24(20,21)17-10-15(22-7-2-8-23-15)9-13(17)14(18)16-19/h3-6,13,19H,2,7-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyHITGUJDZSMUCGR-ZDUSSCGKSA-N
MW356.40 g/mol
LogP0.40
Rot. Bonds3

About (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide

(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 44576631) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID44576631
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)NO)OCCCO3)cc1
InChIInChI=1S/C15H20N2O6S/c1-11-3-5-12(6-4-11)24(20,21)17-10-15(22-7-2-8-23-15)9-13(17)14(18)16-19/h3-6,13,19H,2,7-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyHITGUJDZSMUCGR-ZDUSSCGKSA-N
XLogP0.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide (CID 44576631) is (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide is Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)NO)OCCCO3)cc1.
What is the InChIKey of (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is HITGUJDZSMUCGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-11-3-5-12(6-4-11)24(20,21)17-10-15(22-7-2-8-23-15)9-13(17)14(18)16-19/h3-6,13,19H,2,7-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide?
(3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-hydroxy-2-(4-methylphenyl)sulfonyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 44576631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).