3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C14H23N3O2S — CID 61471703

IUPAC3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-11-5-6-13(9-14(11)15)20(18,19)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyXRCHOVCUVZHNOV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61471703) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61471703
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-11-5-6-13(9-14(11)15)20(18,19)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyXRCHOVCUVZHNOV-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62912151
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
3-amino-N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 114414720
3-amino-5-chloro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 114379335

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 61471703) is 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CN2CCCC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is XRCHOVCUVZHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-5-6-13(9-14(11)15)20(18,19)16-12(2)10-17-7-3-4-8-17/h5-6,9,12,16H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61471703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).