(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide

C14H20N2O5S2 — CID 10498747

IUPAC(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyULILDPSFFUSXJH-LBPRGKRZSA-N
MW360.46 g/mol
LogP1.09
Rot. Bonds4

About (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide

(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide (PubChem CID 10498747) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
PubChem CID10498747
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyULILDPSFFUSXJH-LBPRGKRZSA-N
XLogP1.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.09
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-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide?
The IUPAC name of (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide (CID 10498747) is (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide?
The InChIKey is ULILDPSFFUSXJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide?
(3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide is sourced from PubChem (CID 10498747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).