N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

C13H25N3O2S2 — CID 106094336

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(CNC)cs1
InChIInChI=1S/C13H25N3O2S2/c1-5-11(2)16(4)7-6-15-20(17,18)13-8-12(9-14-3)10-19-13/h8,10-11,14-15H,5-7,9H2,1-4H3
InChIKeyRXMYVDUENGMLAD-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.48
Rot. Bonds9

About N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106094336) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106094336
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(CNC)cs1
InChIInChI=1S/C13H25N3O2S2/c1-5-11(2)16(4)7-6-15-20(17,18)13-8-12(9-14-3)10-19-13/h8,10-11,14-15H,5-7,9H2,1-4H3
InChIKeyRXMYVDUENGMLAD-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 107818786
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
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-3-sulfonamide
CID 106055603
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106094336) is N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is CCC(C)N(C)CCNS(=O)(=O)c1cc(CNC)cs1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is RXMYVDUENGMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-5-11(2)16(4)7-6-15-20(17,18)13-8-12(9-14-3)10-19-13/h8,10-11,14-15H,5-7,9H2,1-4H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106094336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).