3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C15H25N3O2S — CID 61471821

IUPAC3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CN2CCCC2)cc(N)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-14(9-15(16)13(11)3)21(19,20)17-12(2)10-18-6-4-5-7-18/h8-9,12,17H,4-7,10,16H2,1-3H3
InChIKeyFXEVRQOOFMRTDY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61471821) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61471821
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CN2CCCC2)cc(N)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-14(9-15(16)13(11)3)21(19,20)17-12(2)10-18-6-4-5-7-18/h8-9,12,17H,4-7,10,16H2,1-3H3
InChIKeyFXEVRQOOFMRTDY-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.65
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-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
3-amino-5-chloro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 114379335
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
4-cyano-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 105055659
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 61471821) is 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)CN2CCCC2)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FXEVRQOOFMRTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-8-14(9-15(16)13(11)3)21(19,20)17-12(2)10-18-6-4-5-7-18/h8-9,12,17H,4-7,10,16H2,1-3H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61471821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).