N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide

C11H16N4O3S2 — CID 82908775

IUPACN-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C11H16N4O3S2/c12-20(17,18)15-9-3-1-2-8(6-9)14-11(16)10-7-19-5-4-13-10/h1-3,6,10,13,15H,4-5,7H2,(H,14,16)(H2,12,17,18)
InChIKeyLHMRQUCYQJOTKU-UHFFFAOYSA-N
MW316.41 g/mol
LogP-0.05
Rot. Bonds4

About N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide

N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide (PubChem CID 82908775) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
PubChem CID82908775
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC NameN-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C11H16N4O3S2/c12-20(17,18)15-9-3-1-2-8(6-9)14-11(16)10-7-19-5-4-13-10/h1-3,6,10,13,15H,4-5,7H2,(H,14,16)(H2,12,17,18)
InChIKeyLHMRQUCYQJOTKU-UHFFFAOYSA-N
XLogP-0.05
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-[3-(1,2,4-triazol-4-yl)phenyl]thiomorpholine-3-carboxamide
CID 82905705
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 172895059
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329973
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82908517

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide (CID 82908775) is N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide is NS(=O)(=O)Nc1cccc(NC(=O)C2CSCCN2)c1.
What is the InChIKey of N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is LHMRQUCYQJOTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c12-20(17,18)15-9-3-1-2-8(6-9)14-11(16)10-7-19-5-4-13-10/h1-3,6,10,13,15H,4-5,7H2,(H,14,16)(H2,12,17,18).
What are the key properties of N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide?
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).