1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide

C14H28N4O2S — CID 106055982

IUPAC1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCN(C)CC)cn1CC
InChIInChI=1S/C14H28N4O2S/c1-5-15-11-13-10-14(12-18(13)7-3)21(19,20)16-8-9-17(4)6-2/h10,12,15-16H,5-9,11H2,1-4H3
InChIKeyFPDCMUGZSNTXFC-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.85
Rot. Bonds10

About 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide

1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide (PubChem CID 106055982) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
PubChem CID106055982
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCN(C)CC)cn1CC
InChIInChI=1S/C14H28N4O2S/c1-5-15-11-13-10-14(12-18(13)7-3)21(19,20)16-8-9-17(4)6-2/h10,12,15-16H,5-9,11H2,1-4H3
InChIKeyFPDCMUGZSNTXFC-UHFFFAOYSA-N
XLogP0.85
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide
CID 106032739
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide (CID 106055982) is 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCN(C)CC)cn1CC.
What is the InChIKey of 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
The InChIKey is FPDCMUGZSNTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-5-15-11-13-10-14(12-18(13)7-3)21(19,20)16-8-9-17(4)6-2/h10,12,15-16H,5-9,11H2,1-4H3.
What are the key properties of 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide?
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 0.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106055982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).