5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide

C14H26N4O2S — CID 106052912

IUPAC5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCN(C)CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-3-15-10-13-8-14(11-16-13)21(19,20)17-9-12-4-6-18(2)7-5-12/h8,11-12,15-17H,3-7,9-10H2,1-2H3
InChIKeyUYTHKQQGILSVJC-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.74
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106052912) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID106052912
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCN(C)CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-3-15-10-13-8-14(11-16-13)21(19,20)17-9-12-4-6-18(2)7-5-12/h8,11-12,15-17H,3-7,9-10H2,1-2H3
InChIKeyUYTHKQQGILSVJC-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
CID 106075562
5-(methylaminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106082645
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106327409
5-(ethylaminomethyl)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methyl]ethanamine
CID 115562900
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608260
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106016768
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide (CID 106052912) is 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC2CCN(C)CC2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is UYTHKQQGILSVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-15-10-13-8-14(11-16-13)21(19,20)17-9-12-4-6-18(2)7-5-12/h8,11-12,15-17H,3-7,9-10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106052912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).