N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide

C15H23N3O3S — CID 119944714

IUPACN-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11,16H2,1H3
InChIKeyLDXNESZIDZDNID-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.20
Rot. Bonds5

About N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 119944714) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID119944714
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11,16H2,1H3
InChIKeyLDXNESZIDZDNID-UHFFFAOYSA-N
XLogP1.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.20
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

N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
CID 119945365
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
N-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655211
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide (CID 119944714) is N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2N)CC1.
What is the InChIKey of N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is LDXNESZIDZDNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-11-22(20,21)17-12-7-9-18(10-8-12)15(19)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11,16H2,1H3.
What are the key properties of N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 119944714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).