4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide

C12H20N2O3S2 — CID 106063055

IUPAC4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-8-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyALVOJIUZACLTMO-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.17
Rot. Bonds6

About 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106063055) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID106063055
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-8-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyALVOJIUZACLTMO-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 61300759
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (CID 106063055) is 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCC2CCOCC2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ALVOJIUZACLTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-8-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106063055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).