N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H25N3O3S — CID 106080715

IUPACN-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(C)(C)COC)c[nH]1
InChIInChI=1S/C13H25N3O3S/c1-5-6-14-8-11-7-12(9-15-11)20(17,18)16-13(2,3)10-19-4/h7,9,14-16H,5-6,8,10H2,1-4H3
InChIKeySGKVEFOFKBSJRE-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.22
Rot. Bonds9

About N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106080715) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106080715
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(C)(C)COC)c[nH]1
InChIInChI=1S/C13H25N3O3S/c1-5-6-14-8-11-7-12(9-15-11)20(17,18)16-13(2,3)10-19-4/h7,9,14-16H,5-6,8,10H2,1-4H3
InChIKeySGKVEFOFKBSJRE-UHFFFAOYSA-N
XLogP1.22
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106068793
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062810
5-(propylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068070
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106080715) is N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC(C)(C)COC)c[nH]1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is SGKVEFOFKBSJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-5-6-14-8-11-7-12(9-15-11)20(17,18)16-13(2,3)10-19-4/h7,9,14-16H,5-6,8,10H2,1-4H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106080715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).