N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide

C15H23N3O2S — CID 61211616

IUPACN-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CCCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H23N3O2S/c1-18-10-2-3-14(11-18)16-12-6-8-15(9-7-12)21(19,20)17-13-4-5-13/h6-9,13-14,16-17H,2-5,10-11H2,1H3
InChIKeyCDQFRQDJZZSFPB-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide

N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 61211616) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
PubChem CID61211616
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CCCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H23N3O2S/c1-18-10-2-3-14(11-18)16-12-6-8-15(9-7-12)21(19,20)17-13-4-5-13/h6-9,13-14,16-17H,2-5,10-11H2,1H3
InChIKeyCDQFRQDJZZSFPB-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61222738
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
2-iodo-5-[(1-methylpiperidin-3-yl)sulfamoyl]benzoic acid
CID 103962394
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 61170389
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide (CID 61211616) is N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide is CN1CCCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is CDQFRQDJZZSFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-10-2-3-14(11-18)16-12-6-8-15(9-7-12)21(19,20)17-13-4-5-13/h6-9,13-14,16-17H,2-5,10-11H2,1H3.
What are the key properties of N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide?
N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 61211616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).