N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide

C16H26N2O2S — CID 164556889

IUPACN-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
SMILESCC(C)C1CCN(c2cccc(N(C)S(C)(=O)=O)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)14-8-10-18(11-9-14)16-7-5-6-15(12-16)17(3)21(4,19)20/h5-7,12-14H,8-11H2,1-4H3
InChIKeyYPAJGLNTDWRRDN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide

N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide (PubChem CID 164556889) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
PubChem CID164556889
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
SMILESCC(C)C1CCN(c2cccc(N(C)S(C)(=O)=O)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)14-8-10-18(11-9-14)16-7-5-6-15(12-16)17(3)21(4,19)20/h5-7,12-14H,8-11H2,1-4H3
InChIKeyYPAJGLNTDWRRDN-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide (CID 164556889) is N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide is CC(C)C1CCN(c2cccc(N(C)S(C)(=O)=O)c2)CC1.
What is the InChIKey of N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is YPAJGLNTDWRRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)14-8-10-18(11-9-14)16-7-5-6-15(12-16)17(3)21(4,19)20/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide?
N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 164556889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).