N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C14H22N4O3S — CID 129327663

IUPACN-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESC=C(C)CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O
InChIInChI=1S/C14H22N4O3S/c1-11(2)10-18(22(4,20)21)12-6-5-9-17(14(12)19)13-7-8-15-16(13)3/h7-8,12H,1,5-6,9-10H2,2-4H3/t12-/m0/s1
InChIKeyVSBNNQSZTUDOKE-LBPRGKRZSA-N
MW326.42 g/mol
LogP0.75
Rot. Bonds5

About N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 129327663) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID129327663
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESC=C(C)CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O
InChIInChI=1S/C14H22N4O3S/c1-11(2)10-18(22(4,20)21)12-6-5-9-17(14(12)19)13-7-8-15-16(13)3/h7-8,12H,1,5-6,9-10H2,2-4H3/t12-/m0/s1
InChIKeyVSBNNQSZTUDOKE-LBPRGKRZSA-N
XLogP0.75
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 129327663) is N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is C=C(C)CN([C@H]1CCCN(c2ccnn2C)C1=O)S(C)(=O)=O.
What is the InChIKey of N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is VSBNNQSZTUDOKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11(2)10-18(22(4,20)21)12-6-5-9-17(14(12)19)13-7-8-15-16(13)3/h7-8,12H,1,5-6,9-10H2,2-4H3/t12-/m0/s1.
What are the key properties of N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129327663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).