(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide

C19H28N2O2S — CID 75364443

IUPAC(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c22-24(23,15-12-17-6-2-1-3-7-17)20-19-10-13-21(14-11-19)16-18-8-4-5-9-18/h1-3,6-7,12,15,18-20H,4-5,8-11,13-14,16H2/b15-12+
InChIKeySFSLZQIHXLQVIM-NTCAYCPXSA-N
MW348.51 g/mol
LogP3.23
Rot. Bonds6

About (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide

(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 75364443) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
PubChem CID75364443
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H28N2O2S/c22-24(23,15-12-17-6-2-1-3-7-17)20-19-10-13-21(14-11-19)16-18-8-4-5-9-18/h1-3,6-7,12,15,18-20H,4-5,8-11,13-14,16H2/b15-12+
InChIKeySFSLZQIHXLQVIM-NTCAYCPXSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
N-(azetidin-3-yl)-2-phenylethenesulfonamide
CID 77114365
(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
CID 95312212
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 71685677
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 56797547
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
(E)-2-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethenesulfonamide
CID 55906361
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1-[(4-fluorophenyl)methyl]-4-[[1-(2-phenylethenylsulfonyl)piperidin-4-yl]methyl]piperazine
CID 73048536
(E)-N-cyclohexyl-2-(2-methylphenyl)ethenesulfonamide
CID 15365454

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide (CID 75364443) is (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is SFSLZQIHXLQVIM-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-24(23,15-12-17-6-2-1-3-7-17)20-19-10-13-21(14-11-19)16-18-8-4-5-9-18/h1-3,6-7,12,15,18-20H,4-5,8-11,13-14,16H2/b15-12+.
What are the key properties of (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide?
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 348.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 75364443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).