N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide

C16H24N2O3S — CID 120576563

IUPACN-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide
SMILESCC1NCCCC1NC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-9-5-4-7-13(15)16(19)18-14-8-6-10-17-12(14)3/h4-5,7,9,11-12,14,17H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyDSDJWLHVPSVSBP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide

N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 120576563) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide
PubChem CID120576563
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide
SMILESCC1NCCCC1NC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-9-5-4-7-13(15)16(19)18-14-8-6-10-17-12(14)3/h4-5,7,9,11-12,14,17H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyDSDJWLHVPSVSBP-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
N-(2-methylpiperidin-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide;dihydrochloride
CID 120576232
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577893
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide (CID 120576563) is N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide is CC1NCCCC1NC(=O)c1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is DSDJWLHVPSVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-9-5-4-7-13(15)16(19)18-14-8-6-10-17-12(14)3/h4-5,7,9,11-12,14,17H,6,8,10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide?
N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 324.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 120576563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).