5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide

C13H23N3O2S2 — CID 105421421

IUPAC5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2csc(CN)c2)CCC1
InChIInChI=1S/C13H23N3O2S2/c1-15(2)13(5-4-6-13)10-16(3)20(17,18)12-7-11(8-14)19-9-12/h7,9H,4-6,8,10,14H2,1-3H3
InChIKeyDXVLZABNBTWMFV-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.31
Rot. Bonds6

About 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide (PubChem CID 105421421) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
PubChem CID105421421
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2csc(CN)c2)CCC1
InChIInChI=1S/C13H23N3O2S2/c1-15(2)13(5-4-6-13)10-16(3)20(17,18)12-7-11(8-14)19-9-12/h7,9H,4-6,8,10,14H2,1-3H3
InChIKeyDXVLZABNBTWMFV-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide (CID 105421421) is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2csc(CN)c2)CCC1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is DXVLZABNBTWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-15(2)13(5-4-6-13)10-16(3)20(17,18)12-7-11(8-14)19-9-12/h7,9H,4-6,8,10,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 105421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).