5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide

C11H18N2O3S2 — CID 114141274

IUPAC5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C11H18N2O3S2/c12-6-10-5-11(8-17-10)18(14,15)13-7-9-1-3-16-4-2-9/h5,8-9,13H,1-4,6-7,12H2
InChIKeyXPOPQGREYVMZJI-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.91
Rot. Bonds5

About 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 114141274) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID114141274
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C11H18N2O3S2/c12-6-10-5-11(8-17-10)18(14,15)13-7-9-1-3-16-4-2-9/h5,8-9,13H,1-4,6-7,12H2
InChIKeyXPOPQGREYVMZJI-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092055
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106018473
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
CID 114958320
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
4-(bromomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481629

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide (CID 114141274) is 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCC2CCOCC2)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is XPOPQGREYVMZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c12-6-10-5-11(8-17-10)18(14,15)13-7-9-1-3-16-4-2-9/h5,8-9,13H,1-4,6-7,12H2.
What are the key properties of 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114141274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).