5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

C14H25N3O2S2 — CID 106083266

IUPAC5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(CNC2CC2)n(C)c1
InChIInChI=1S/C14H25N3O2S2/c1-4-20-10-11(2)16-21(18,19)14-7-13(17(3)9-14)8-15-12-5-6-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3
InChIKeyZBXOZBJDFDAEJK-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.70
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106083266) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID106083266
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(CNC2CC2)n(C)c1
InChIInChI=1S/C14H25N3O2S2/c1-4-20-10-11(2)16-21(18,19)14-7-13(17(3)9-14)8-15-12-5-6-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3
InChIKeyZBXOZBJDFDAEJK-UHFFFAOYSA-N
XLogP1.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 106079946
5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
CID 106081951
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
1-methyl-N-(4-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106080224
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106053778
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (CID 106083266) is 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is CCSCC(C)NS(=O)(=O)c1cc(CNC2CC2)n(C)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is ZBXOZBJDFDAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-20-10-11(2)16-21(18,19)14-7-13(17(3)9-14)8-15-12-5-6-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106083266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).