2-amino-3-(piperidin-1-ylamino)benzenesulfonamide

C11H18N4O2S — CID 112675025

IUPAC2-amino-3-(piperidin-1-ylamino)benzenesulfonamide
SMILESNc1c(NN2CCCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H18N4O2S/c12-11-9(14-15-7-2-1-3-8-15)5-4-6-10(11)18(13,16)17/h4-6,14H,1-3,7-8,12H2,(H2,13,16,17)
InChIKeyUMYCJZMEFLRJNT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide

2-amino-3-(piperidin-1-ylamino)benzenesulfonamide (PubChem CID 112675025) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(piperidin-1-ylamino)benzenesulfonamide
PubChem CID112675025
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-amino-3-(piperidin-1-ylamino)benzenesulfonamide
SMILESNc1c(NN2CCCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H18N4O2S/c12-11-9(14-15-7-2-1-3-8-15)5-4-6-10(11)18(13,16)17/h4-6,14H,1-3,7-8,12H2,(H2,13,16,17)
InChIKeyUMYCJZMEFLRJNT-UHFFFAOYSA-N
XLogP0.73
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
N-(3-methylsulfonyl-2-nitrophenyl)piperidin-1-amine
CID 82878658
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 106022809
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide (CID 112675025) is 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide is Nc1c(NN2CCCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide?
The InChIKey is UMYCJZMEFLRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c12-11-9(14-15-7-2-1-3-8-15)5-4-6-10(11)18(13,16)17/h4-6,14H,1-3,7-8,12H2,(H2,13,16,17).
What are the key properties of 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide?
2-amino-3-(piperidin-1-ylamino)benzenesulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(piperidin-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 112675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).