5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide

C13H25N3O2S — CID 102915798

IUPAC5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1c[nH]c(CN)c1)C(C)C
InChIInChI=1S/C13H25N3O2S/c1-9(2)13(10(3)4)8-16-19(17,18)12-5-11(6-14)15-7-12/h5,7,9-10,13,15-16H,6,8,14H2,1-4H3
InChIKeyCEMHOTXPENOXHJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.68
Rot. Bonds7

About 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide (PubChem CID 102915798) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
PubChem CID102915798
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1c[nH]c(CN)c1)C(C)C
InChIInChI=1S/C13H25N3O2S/c1-9(2)13(10(3)4)8-16-19(17,18)12-5-11(6-14)15-7-12/h5,7,9-10,13,15-16H,6,8,14H2,1-4H3
InChIKeyCEMHOTXPENOXHJ-UHFFFAOYSA-N
XLogP1.68
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
CID 106081668
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide (CID 102915798) is 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1c[nH]c(CN)c1)C(C)C.
What is the InChIKey of 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is CEMHOTXPENOXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-9(2)13(10(3)4)8-16-19(17,18)12-5-11(6-14)15-7-12/h5,7,9-10,13,15-16H,6,8,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 102915798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).