5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide

C14H26N4O2S — CID 106035255

IUPAC5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-3-18(4-2)8-7-17-21(19,20)14-9-13(16-11-14)10-15-12-5-6-12/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyCLWCIKIYGMKIIB-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.89
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106035255) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106035255
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-3-18(4-2)8-7-17-21(19,20)14-9-13(16-11-14)10-15-12-5-6-12/h9,11-12,15-17H,3-8,10H2,1-2H3
InChIKeyCLWCIKIYGMKIIB-UHFFFAOYSA-N
XLogP0.89
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106089998
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)-1H-pyrrole-3-sulfonamide
CID 106050867
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106063054
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062810
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106078485
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
CID 112667294
5-[(cyclopropylamino)methyl]-N-(2-iodophenyl)-1H-pyrrole-3-sulfonamide
CID 106030303
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
CID 82939796
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide
CID 81064545

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide (CID 106035255) is 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide is CCN(CC)CCNS(=O)(=O)c1c[nH]c(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is CLWCIKIYGMKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-18(4-2)8-7-17-21(19,20)14-9-13(16-11-14)10-15-12-5-6-12/h9,11-12,15-17H,3-8,10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.89, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106035255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).