1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide

C14H27N3O2S2 — CID 115988255

IUPAC1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)N(C)CCSC)cn1CC
InChIInChI=1S/C14H27N3O2S2/c1-5-7-15-11-13-10-14(12-17(13)6-2)21(18,19)16(3)8-9-20-4/h10,12,15H,5-9,11H2,1-4H3
InChIKeyNWCVQRBQLHUMSS-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.99
Rot. Bonds10

About 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide

1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 115988255) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
PubChem CID115988255
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)N(C)CCSC)cn1CC
InChIInChI=1S/C14H27N3O2S2/c1-5-7-15-11-13-10-14(12-17(13)6-2)21(18,19)16(3)8-9-20-4/h10,12,15H,5-9,11H2,1-4H3
InChIKeyNWCVQRBQLHUMSS-UHFFFAOYSA-N
XLogP1.99
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-ethyl-N-methyl-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 112667073
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700
N-(2-methylsulfanylethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106063787
N,1-dimethyl-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 115988394
1-ethyl-N-(2-methylbutan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106031460
N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
5-(chloromethyl)-1-cyclopropyl-N-methyl-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 112667074
N-methyl-N-(2-methylsulfanylethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 115986114
1-[3-(ethylamino)propyl]-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988388

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide (CID 115988255) is 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)N(C)CCSC)cn1CC.
What is the InChIKey of 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is NWCVQRBQLHUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-5-7-15-11-13-10-14(12-17(13)6-2)21(18,19)16(3)8-9-20-4/h10,12,15H,5-9,11H2,1-4H3.
What are the key properties of 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide?
1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 115988255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).