5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

C12H21N3O2S2 — CID 43332877

IUPAC5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-14-7-5-10(6-8-14)15(2)19(16,17)12-4-3-11(9-13)18-12/h3-4,10H,5-9,13H2,1-2H3
InChIKeyDWMOPCPLFVCYCQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.92
Rot. Bonds4

About 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 43332877) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID43332877
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-14-7-5-10(6-8-14)15(2)19(16,17)12-4-3-11(9-13)18-12/h3-4,10H,5-9,13H2,1-2H3
InChIKeyDWMOPCPLFVCYCQ-UHFFFAOYSA-N
XLogP0.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 60857110
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
CID 63682736
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 102920256
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 55009501
N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4839985
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
CID 79120828
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 43332877) is 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(CN)s2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is DWMOPCPLFVCYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-14-7-5-10(6-8-14)15(2)19(16,17)12-4-3-11(9-13)18-12/h3-4,10H,5-9,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43332877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).