N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C17H23N3O2S2 — CID 42960018

IUPACN-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O2S2/c1-24(21,22)18-10-14-6-5-9-20(11-14)12-16-13-23-17(19-16)15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3
InChIKeyJYXMHDFTVSYBGY-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 42960018) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID42960018
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N3O2S2/c1-24(21,22)18-10-14-6-5-9-20(11-14)12-16-13-23-17(19-16)15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3
InChIKeyJYXMHDFTVSYBGY-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56550592
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 42960018) is N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(Cc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JYXMHDFTVSYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-24(21,22)18-10-14-6-5-9-20(11-14)12-16-13-23-17(19-16)15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3.
What are the key properties of N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 42960018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).