(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide

C17H25N3O3S — CID 55939156

IUPAC(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O3S/c1-13(19-24(22,23)16-5-3-2-4-6-16)17(21)18-14-9-11-20(12-10-14)15-7-8-15/h2-6,13-15,19H,7-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeySTQITAXVGZEUDS-ZDUSSCGKSA-N
MW351.47 g/mol
LogP1.10
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide

(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide (PubChem CID 55939156) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
PubChem CID55939156
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C17H25N3O3S/c1-13(19-24(22,23)16-5-3-2-4-6-16)17(21)18-14-9-11-20(12-10-14)15-7-8-15/h2-6,13-15,19H,7-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeySTQITAXVGZEUDS-ZDUSSCGKSA-N
XLogP1.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86966235
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide (CID 55939156) is (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The InChIKey is STQITAXVGZEUDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13(19-24(22,23)16-5-3-2-4-6-16)17(21)18-14-9-11-20(12-10-14)15-7-8-15/h2-6,13-15,19H,7-12H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide has a molecular weight of 351.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55939156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).