5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

C13H25N3O3S — CID 106067591

IUPAC5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C13H25N3O3S/c1-10(2)16-9-13(7-12(16)8-14)20(17,18)15-11(3)5-6-19-4/h7,9-11,15H,5-6,8,14H2,1-4H3
InChIKeyLSSLTMFYAGZHRR-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.23
Rot. Bonds8

About 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106067591) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106067591
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(CN)n(C(C)C)c1
InChIInChI=1S/C13H25N3O3S/c1-10(2)16-9-13(7-12(16)8-14)20(17,18)15-11(3)5-6-19-4/h7,9-11,15H,5-6,8,14H2,1-4H3
InChIKeyLSSLTMFYAGZHRR-UHFFFAOYSA-N
XLogP1.23
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
CID 106055445
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
5-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106083952
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
5-(aminomethyl)-1-propan-2-yl-N-(thian-4-ylmethyl)pyrrole-3-sulfonamide
CID 106078628

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106067591) is 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is COCCC(C)NS(=O)(=O)c1cc(CN)n(C(C)C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is LSSLTMFYAGZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10(2)16-9-13(7-12(16)8-14)20(17,18)15-11(3)5-6-19-4/h7,9-11,15H,5-6,8,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106067591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).