3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide

C14H23N3O3S — CID 60857328

IUPAC3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-7-6-11(10-17)9-16-21(18,19)12-4-5-14(20-2)13(15)8-12/h4-5,8,11,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyBNBWGHJHLSDYHD-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.90
Rot. Bonds6

About 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 60857328) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID60857328
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-7-6-11(10-17)9-16-21(18,19)12-4-5-14(20-2)13(15)8-12/h4-5,8,11,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyBNBWGHJHLSDYHD-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 60854977
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 93343039
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 60855529
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide (CID 60857328) is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide is CCN1CCC(CNS(=O)(=O)c2ccc(OC)c(N)c2)C1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is BNBWGHJHLSDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-17-7-6-11(10-17)9-16-21(18,19)12-4-5-14(20-2)13(15)8-12/h4-5,8,11,16H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide?
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 60857328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).