4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 63300290

IUPAC4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCNC1
InChIInChI=1S/C14H23N3O2S/c1-4-17(13-9-10-15-11-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyMAJPIQLIOVHHMT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.13
Rot. Bonds5

About 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide

4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63300290) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID63300290
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCNC1
InChIInChI=1S/C14H23N3O2S/c1-4-17(13-9-10-15-11-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyMAJPIQLIOVHHMT-UHFFFAOYSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 63300290) is 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide is CCN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCNC1.
What is the InChIKey of 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MAJPIQLIOVHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-17(13-9-10-15-11-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide?
4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63300290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).