N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

C14H26N4O2S — CID 106062810

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCN(C)C2CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-3-6-15-10-12-9-14(11-16-12)21(19,20)17-7-8-18(2)13-4-5-13/h9,11,13,15-17H,3-8,10H2,1-2H3
InChIKeyJSALVCOAKDJPSW-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.89
Rot. Bonds10

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

N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106062810) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106062810
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCN(C)C2CC2)c[nH]1
InChIInChI=1S/C14H26N4O2S/c1-3-6-15-10-12-9-14(11-16-12)21(19,20)17-7-8-18(2)13-4-5-13/h9,11,13,15-17H,3-8,10H2,1-2H3
InChIKeyJSALVCOAKDJPSW-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106062810) is N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCCN(C)C2CC2)c[nH]1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is JSALVCOAKDJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-6-15-10-12-9-14(11-16-12)21(19,20)17-7-8-18(2)13-4-5-13/h9,11,13,15-17H,3-8,10H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-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 N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106062810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).