cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone

C26H31N3OS — CID 135234993

IUPACcyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NSc3ccccc3)ccc21
InChIInChI=1S/C26H31N3OS/c1-28-18-24(19-13-15-29(16-14-19)26(30)20-7-5-6-8-20)23-17-21(11-12-25(23)28)27-31-22-9-3-2-4-10-22/h2-4,9-12,17-20,27H,5-8,13-16H2,1H3
InChIKeyOQFZYPAYHCWNCE-UHFFFAOYSA-N
MW433.62 g/mol
LogP6.19
Rot. Bonds5

About cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone (PubChem CID 135234993) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
PubChem CID135234993
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC Namecyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NSc3ccccc3)ccc21
InChIInChI=1S/C26H31N3OS/c1-28-18-24(19-13-15-29(16-14-19)26(30)20-7-5-6-8-20)23-17-21(11-12-25(23)28)27-31-22-9-3-2-4-10-22/h2-4,9-12,17-20,27H,5-8,13-16H2,1H3
InChIKeyOQFZYPAYHCWNCE-UHFFFAOYSA-N
XLogP6.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
CID 149106216
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 159960743
N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
CID 135235029
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
2-[2-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]acetyl]pyridine-4-carbonitrile
CID 147676230
4-[5-[(4-cyanopyridine-2-carbonyl)amino]-1-methylindol-3-yl]piperidine-1-carboxylic acid
CID 118865629
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone (CID 135234993) is cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NSc3ccccc3)ccc21.
What is the InChIKey of cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone?
The InChIKey is OQFZYPAYHCWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c1-28-18-24(19-13-15-29(16-14-19)26(30)20-7-5-6-8-20)23-17-21(11-12-25(23)28)27-31-22-9-3-2-4-10-22/h2-4,9-12,17-20,27H,5-8,13-16H2,1H3.
What are the key properties of cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone has a molecular weight of 433.62 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 135234993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).