5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide

C12H23N3O2S2 — CID 106055603

IUPAC5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCN(C)C(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(4)6-5-14-19(16,17)12-7-11(8-13-3)18-9-12/h7,9-10,13-14H,5-6,8H2,1-4H3
InChIKeyKPMFMSXGPIKPST-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.09
Rot. Bonds8

About 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide (PubChem CID 106055603) 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-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
PubChem CID106055603
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCN(C)C(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(4)6-5-14-19(16,17)12-7-11(8-13-3)18-9-12/h7,9-10,13-14H,5-6,8H2,1-4H3
InChIKeyKPMFMSXGPIKPST-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

N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106051741
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106010442
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide (CID 106055603) is 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCN(C)C(C)C)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide?
The InChIKey is KPMFMSXGPIKPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-10(2)15(4)6-5-14-19(16,17)12-7-11(8-13-3)18-9-12/h7,9-10,13-14H,5-6,8H2,1-4H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-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-3-sulfonamide is sourced from PubChem (CID 106055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).