CID 134790084

C22H34N2O2S — CID 134790084

IUPAC—
SMILESC[S+](=O)([O-])N1Cc2ccccc2CC2(CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C22H34N2O2S/c1-27(25,26)24-17-21-10-6-5-9-20(21)15-22(18-24)11-13-23(14-12-22)16-19-7-3-2-4-8-19/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3
InChIKeyVRNCVYYOTACFPL-UHFFFAOYSA-N
MW390.59 g/mol
LogP3.88
Rot. Bonds3

About CID 134790084

CID 134790084 (PubChem CID 134790084) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol.

Molecular Properties

Compound NameCID 134790084
PubChem CID134790084
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC Name—
SMILESC[S+](=O)([O-])N1Cc2ccccc2CC2(CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C22H34N2O2S/c1-27(25,26)24-17-21-10-6-5-9-20(21)15-22(18-24)11-13-23(14-12-22)16-19-7-3-2-4-8-19/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3
InChIKeyVRNCVYYOTACFPL-UHFFFAOYSA-N
XLogP3.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 134788312
CID 134788312
CID 134790612
CID 134790612
1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134788002
N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide
CID 134791012
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
CID 134787321
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134788250
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
CID 134789907
CID 134789907
CID 134791192
CID 134791192

Frequently Asked Questions

What is the IUPAC name of CID 134790084?
The IUPAC name of CID 134790084 (CID 134790084) is not available.
What is the SMILES notation for CID 134790084?
The canonical SMILES for CID 134790084 is C[S+](=O)([O-])N1Cc2ccccc2CC2(CCN(CC3CCCCC3)CC2)C1.
What is the InChIKey of CID 134790084?
The InChIKey is VRNCVYYOTACFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-27(25,26)24-17-21-10-6-5-9-20(21)15-22(18-24)11-13-23(14-12-22)16-19-7-3-2-4-8-19/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3.
What are the key properties of CID 134790084?
CID 134790084 has a molecular weight of 390.59 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134790084 is sourced from PubChem (CID 134790084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).