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

C13H23N3O2S2 — CID 106050950

IUPAC5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CN2CCCC2)sc1CN
InChIInChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)8-14)20(17,18)15-11(2)9-16-5-3-4-6-16/h7,11,15H,3-6,8-9,14H2,1-2H3
InChIKeyFZJFPDIWBZUEEZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.28
Rot. Bonds6

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

5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 106050950) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID106050950
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CN2CCCC2)sc1CN
InChIInChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)8-14)20(17,18)15-11(2)9-16-5-3-4-6-16/h7,11,15H,3-6,8-9,14H2,1-2H3
InChIKeyFZJFPDIWBZUEEZ-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 106050950) is 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)CN2CCCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is FZJFPDIWBZUEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-10-7-13(19-12(10)8-14)20(17,18)15-11(2)9-16-5-3-4-6-16/h7,11,15H,3-6,8-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106050950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).