2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide

C14H21N3O3S — CID 62092334

IUPAC2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC1CCCNC1=O
InChIInChI=1S/C14H21N3O3S/c1-10(2)17-21(19,20)13-8-4-3-6-11(13)16-12-7-5-9-15-14(12)18/h3-4,6,8,10,12,16-17H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyQROLUCPBZCWGHD-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.06
Rot. Bonds5

About 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide

2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 62092334) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID62092334
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC1CCCNC1=O
InChIInChI=1S/C14H21N3O3S/c1-10(2)17-21(19,20)13-8-4-3-6-11(13)16-12-7-5-9-15-14(12)18/h3-4,6,8,10,12,16-17H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyQROLUCPBZCWGHD-UHFFFAOYSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 62092334) is 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NC1CCCNC1=O.
What is the InChIKey of 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QROLUCPBZCWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)17-21(19,20)13-8-4-3-6-11(13)16-12-7-5-9-15-14(12)18/h3-4,6,8,10,12,16-17H,5,7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopiperidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62092334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).