5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

C12H20N2O3S2 — CID 106092055

IUPAC5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1csc(CN)c1)C1CCOCC1
InChIInChI=1S/C12H20N2O3S2/c1-9(10-2-4-17-5-3-10)14-19(15,16)12-6-11(7-13)18-8-12/h6,8-10,14H,2-5,7,13H2,1H3
InChIKeyDASPEVFKWUNIOP-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.30
Rot. Bonds5

About 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106092055) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106092055
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1csc(CN)c1)C1CCOCC1
InChIInChI=1S/C12H20N2O3S2/c1-9(10-2-4-17-5-3-10)14-19(15,16)12-6-11(7-13)18-8-12/h6,8-10,14H,2-5,7,13H2,1H3
InChIKeyDASPEVFKWUNIOP-UHFFFAOYSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
CID 106056951
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106084568
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid
CID 154743450

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (CID 106092055) is 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is CC(NS(=O)(=O)c1csc(CN)c1)C1CCOCC1.
What is the InChIKey of 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is DASPEVFKWUNIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9(10-2-4-17-5-3-10)14-19(15,16)12-6-11(7-13)18-8-12/h6,8-10,14H,2-5,7,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106092055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).