N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide

C13H23N3O3S2 — CID 106324582

IUPACN,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCCN2CCSCC2)o1
InChIInChI=1S/C13H23N3O3S2/c1-15(2)21(17,18)13-4-3-12(19-13)11-14-5-6-16-7-9-20-10-8-16/h3-4,14H,5-11H2,1-2H3
InChIKeyZGJZFSWPNJIDQR-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.67
Rot. Bonds7

About N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide

N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide (PubChem CID 106324582) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
PubChem CID106324582
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC NameN,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCCN2CCSCC2)o1
InChIInChI=1S/C13H23N3O3S2/c1-15(2)21(17,18)13-4-3-12(19-13)11-14-5-6-16-7-9-20-10-8-16/h3-4,14H,5-11H2,1-2H3
InChIKeyZGJZFSWPNJIDQR-UHFFFAOYSA-N
XLogP0.67
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103527237
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 81042035
N-(1,3-oxazol-5-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 106325045
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
6-[(2-thiomorpholin-4-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106325986
5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 94139145
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide (CID 106324582) is N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNCCN2CCSCC2)o1.
What is the InChIKey of N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide?
The InChIKey is ZGJZFSWPNJIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-15(2)21(17,18)13-4-3-12(19-13)11-14-5-6-16-7-9-20-10-8-16/h3-4,14H,5-11H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106324582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).