N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide

C16H26N2O5S2 — CID 146075175

IUPACN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2cccc(C)c2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O5S2/c1-14-5-4-6-15(11-14)12-25(21,22)17-13-16(23-2)7-9-18(10-8-16)24(3,19)20/h4-6,11,17H,7-10,12-13H2,1-3H3
InChIKeyCSVHIKXMLFDDHR-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.86
Rot. Bonds7

About N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 146075175) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID146075175
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2cccc(C)c2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O5S2/c1-14-5-4-6-15(11-14)12-25(21,22)17-13-16(23-2)7-9-18(10-8-16)24(3,19)20/h4-6,11,17H,7-10,12-13H2,1-3H3
InChIKeyCSVHIKXMLFDDHR-UHFFFAOYSA-N
XLogP0.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
CID 146075214
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
CID 110287654
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
2-[(3-methylphenyl)methyl]-9-methylsulfonyl-2,9-diazaspiro[4.6]undecan-1-one
CID 131640564
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide (CID 146075175) is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide is COC1(CNS(=O)(=O)Cc2cccc(C)c2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is CSVHIKXMLFDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-14-5-4-6-15(11-14)12-25(21,22)17-13-16(23-2)7-9-18(10-8-16)24(3,19)20/h4-6,11,17H,7-10,12-13H2,1-3H3.
What are the key properties of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 146075175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).