1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide

C17H28N2O2S — CID 16887584

IUPAC1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-14(2)19-10-8-16(9-11-19)12-18-22(20,21)13-17-6-4-15(3)5-7-17/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyNWQRDKZXLPUPKE-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.53
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide

1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 16887584) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID16887584
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2S/c1-14(2)19-10-8-16(9-11-19)12-18-22(20,21)13-17-6-4-15(3)5-7-17/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyNWQRDKZXLPUPKE-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide (CID 16887584) is 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is NWQRDKZXLPUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-14(2)19-10-8-16(9-11-19)12-18-22(20,21)13-17-6-4-15(3)5-7-17/h4-7,14,16,18H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 16887584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).