5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide

C10H20N4O2S — CID 114141824

IUPAC5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
SMILESCCCn1cc(S(=O)(=O)NN(C)C)cc1CN
InChIInChI=1S/C10H20N4O2S/c1-4-5-14-8-10(6-9(14)7-11)17(15,16)12-13(2)3/h6,8,12H,4-5,7,11H2,1-3H3
InChIKeyGZTBTRCJJVYRTJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.11
Rot. Bonds6

About 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide

5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide (PubChem CID 114141824) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide.

Molecular Properties

Compound Name5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
PubChem CID114141824
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide
SMILESCCCn1cc(S(=O)(=O)NN(C)C)cc1CN
InChIInChI=1S/C10H20N4O2S/c1-4-5-14-8-10(6-9(14)7-11)17(15,16)12-13(2)3/h6,8,12H,4-5,7,11H2,1-3H3
InChIKeyGZTBTRCJJVYRTJ-UHFFFAOYSA-N
XLogP0.11
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propylpyrrole-3-sulfonamide
CID 106064798
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106091174
5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106092589
5-(aminomethyl)-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-3-sulfonamide
CID 106020628
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
5-(aminomethyl)-N-(1-cyclobutylethyl)-1-propylpyrrole-3-sulfonamide
CID 106084836
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-1-propylpyrrole-3-sulfonamide
CID 106078423
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide?
The IUPAC name of 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide (CID 114141824) is 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide.
What is the SMILES notation for 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide?
The canonical SMILES for 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide is CCCn1cc(S(=O)(=O)NN(C)C)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide?
The InChIKey is GZTBTRCJJVYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-5-14-8-10(6-9(14)7-11)17(15,16)12-13(2)3/h6,8,12H,4-5,7,11H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide?
5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide has a molecular weight of 260.36 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N',N'-dimethyl-1-propylpyrrole-3-sulfonohydrazide is sourced from PubChem (CID 114141824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).