5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide

C12H23N3O2S2 — CID 106055583

IUPAC5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(4)8-7-14-19(16,17)12-6-5-11(18-12)9-13-3/h5-6,10,13-14H,7-9H2,1-4H3
InChIKeyKUYVNAYNDAQRGH-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.09
Rot. Bonds8

About 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 106055583) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID106055583
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(4)8-7-14-19(16,17)12-6-5-11(18-12)9-13-3/h5-6,10,13-14H,7-9H2,1-4H3
InChIKeyKUYVNAYNDAQRGH-UHFFFAOYSA-N
XLogP1.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106064530
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide (CID 106055583) is 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is KUYVNAYNDAQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-10(2)15(4)8-7-14-19(16,17)12-6-5-11(18-12)9-13-3/h5-6,10,13-14H,7-9H2,1-4H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 305.47 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106055583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).