N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C16H22N2O3S — CID 9165564

IUPACN-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O3S/c1-12-5-2-3-10-18(12)22(20,21)15-7-4-6-13(11-15)16(19)17-14-8-9-14/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyVPYUYBFOJRXFPL-GFCCVEGCSA-N
MW322.43 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9165564) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9165564
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H22N2O3S/c1-12-5-2-3-10-18(12)22(20,21)15-7-4-6-13(11-15)16(19)17-14-8-9-14/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyVPYUYBFOJRXFPL-GFCCVEGCSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
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3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9165564) is N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is VPYUYBFOJRXFPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-5-2-3-10-18(12)22(20,21)15-7-4-6-13(11-15)16(19)17-14-8-9-14/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9165564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).