N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide

C14H27N3O3S — CID 106050793

IUPACN-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC(C)COC)cn1C
InChIInChI=1S/C14H27N3O3S/c1-5-6-15-9-13-7-14(10-17(13)3)21(18,19)16-8-12(2)11-20-4/h7,10,12,15-16H,5-6,8-9,11H2,1-4H3
InChIKeyKVXMTHPLXUEPAS-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.09
Rot. Bonds10

About N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide

N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106050793) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106050793
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC(C)COC)cn1C
InChIInChI=1S/C14H27N3O3S/c1-5-6-15-9-13-7-14(10-17(13)3)21(18,19)16-8-12(2)11-20-4/h7,10,12,15-16H,5-6,8-9,11H2,1-4H3
InChIKeyKVXMTHPLXUEPAS-UHFFFAOYSA-N
XLogP1.09
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106064827
N-(2-ethoxypropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106078809
1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
N-(2,2-difluoroethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 115409245
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
N-(4-methoxybutyl)-1-methyl-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106054022
1-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 81176980
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106064792
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide (CID 106050793) is N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCC(C)COC)cn1C.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is KVXMTHPLXUEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-5-6-15-9-13-7-14(10-17(13)3)21(18,19)16-8-12(2)11-20-4/h7,10,12,15-16H,5-6,8-9,11H2,1-4H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide?
N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106050793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).