5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide

C14H25N3O2S — CID 106084836

IUPAC5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C2CCC2)cc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-7-17-10-14(8-13(17)9-15)20(18,19)16-11(2)12-5-4-6-12/h8,10-12,16H,3-7,9,15H2,1-2H3
InChIKeyYNCKWBAUFHGKDR-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.82
Rot. Bonds7

About 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106084836) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
PubChem CID106084836
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C2CCC2)cc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-7-17-10-14(8-13(17)9-15)20(18,19)16-11(2)12-5-4-6-12/h8,10-12,16H,3-7,9,15H2,1-2H3
InChIKeyYNCKWBAUFHGKDR-UHFFFAOYSA-N
XLogP1.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106091174
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
CID 114141824
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
CID 106064798
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-1-propylpyrrole-3-sulfonamide
CID 106078423
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide (CID 106084836) is 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)C2CCC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is YNCKWBAUFHGKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-7-17-10-14(8-13(17)9-15)20(18,19)16-11(2)12-5-4-6-12/h8,10-12,16H,3-7,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106084836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).