5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide

C13H25N3O2S2 — CID 106083302

IUPAC5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CSCC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-4-6-16-9-13(7-12(16)8-14)20(17,18)15-11(3)10-19-5-2/h7,9,11,15H,4-6,8,10,14H2,1-3H3
InChIKeyGJSFNBQJNIQQMT-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.78
Rot. Bonds9

About 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106083302) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
PubChem CID106083302
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CSCC)cc1CN
InChIInChI=1S/C13H25N3O2S2/c1-4-6-16-9-13(7-12(16)8-14)20(17,18)15-11(3)10-19-5-2/h7,9,11,15H,4-6,8,10,14H2,1-3H3
InChIKeyGJSFNBQJNIQQMT-UHFFFAOYSA-N
XLogP1.78
TPSA77.12 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
CID 106084836
5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
CID 114141824
5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106083266
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
4-(aminomethyl)-3-chloro-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083429
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106091174
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide (CID 106083302) is 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)CSCC)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is GJSFNBQJNIQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-4-6-16-9-13(7-12(16)8-14)20(17,18)15-11(3)10-19-5-2/h7,9,11,15H,4-6,8,10,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106083302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).