1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

C20H23N3O3S2 — CID 86893271

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESO=S(=O)(c1ccccc1)N1CCC(CNCc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C20H23N3O3S2/c24-28(25,18-5-2-1-3-6-18)23-10-8-16(9-11-23)13-21-14-17-15-27-20(22-17)19-7-4-12-26-19/h1-7,12,15-16,21H,8-11,13-14H2
InChIKeyNCGLGINNWGWPMH-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.59
Rot. Bonds7

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 86893271) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID86893271
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESO=S(=O)(c1ccccc1)N1CCC(CNCc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C20H23N3O3S2/c24-28(25,18-5-2-1-3-6-18)23-10-8-16(9-11-23)13-21-14-17-15-27-20(22-17)19-7-4-12-26-19/h1-7,12,15-16,21H,8-11,13-14H2
InChIKeyNCGLGINNWGWPMH-UHFFFAOYSA-N
XLogP3.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine with MolForge

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Related Compounds

1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 32743214
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 32854126
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone
CID 59144976

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (CID 86893271) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is O=S(=O)(c1ccccc1)N1CCC(CNCc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is NCGLGINNWGWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c24-28(25,18-5-2-1-3-6-18)23-10-8-16(9-11-23)13-21-14-17-15-27-20(22-17)19-7-4-12-26-19/h1-7,12,15-16,21H,8-11,13-14H2.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 417.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 86893271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).