4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide

C14H23N3O2S — CID 60856715

IUPAC4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCN1CCC(CNc2ccc(S(=O)(=O)NC)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-9-8-12(11-17)10-16-13-4-6-14(7-5-13)20(18,19)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyZNOWUSKRGPZRNW-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.35
Rot. Bonds6

About 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide

4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 60856715) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID60856715
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCN1CCC(CNc2ccc(S(=O)(=O)NC)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-9-8-12(11-17)10-16-13-4-6-14(7-5-13)20(18,19)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyZNOWUSKRGPZRNW-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 54927732
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
2-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 79466433
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
1-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 62911118
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylsulfonylaniline
CID 60856551
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzoic acid
CID 60989732
N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 133371456
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide (CID 60856715) is 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide is CCN1CCC(CNc2ccc(S(=O)(=O)NC)cc2)C1.
What is the InChIKey of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is ZNOWUSKRGPZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-9-8-12(11-17)10-16-13-4-6-14(7-5-13)20(18,19)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide?
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).