N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide

C13H21N3O2S — CID 99965906

IUPACN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
SMILESC[C@@H]1CCCCN1c1ccc(N)cc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-10-5-3-4-8-16(10)13-7-6-11(14)9-12(13)15-19(2,17)18/h6-7,9-10,15H,3-5,8,14H2,1-2H3/t10-/m1/s1
InChIKeySCPBEPBWODGTEO-SNVBAGLBSA-N
MW283.40 g/mol
LogP2.02
Rot. Bonds3

About N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide (PubChem CID 99965906) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
PubChem CID99965906
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
SMILESC[C@@H]1CCCCN1c1ccc(N)cc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-10-5-3-4-8-16(10)13-7-6-11(14)9-12(13)15-19(2,17)18/h6-7,9-10,15H,3-5,8,14H2,1-2H3/t10-/m1/s1
InChIKeySCPBEPBWODGTEO-SNVBAGLBSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide (CID 99965906) is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide is C[C@@H]1CCCCN1c1ccc(N)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide?
The InChIKey is SCPBEPBWODGTEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-3-4-8-16(10)13-7-6-11(14)9-12(13)15-19(2,17)18/h6-7,9-10,15H,3-5,8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide?
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 99965906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).