CID 134797050

C20H27N3O4S — CID 134797050

IUPAC—
SMILESO=C(C1CCCN1[S+](=O)([O-])c1ccccc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C20H27N3O4S/c24-19-9-5-12-22(19)16-10-14-21(15-11-16)20(25)18-8-4-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2
InChIKeyDCSKDQNFQOSONG-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.67
Rot. Bonds4

About CID 134797050

CID 134797050 (PubChem CID 134797050) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol.

Molecular Properties

Compound NameCID 134797050
PubChem CID134797050
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name—
SMILESO=C(C1CCCN1[S+](=O)([O-])c1ccccc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C20H27N3O4S/c24-19-9-5-12-22(19)16-10-14-21(15-11-16)20(25)18-8-4-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2
InChIKeyDCSKDQNFQOSONG-UHFFFAOYSA-N
XLogP1.67
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 134796365
CID 134796365
1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 84589335
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
1-[1-[1-(2-fluorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 134799253
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
2-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]benzoic acid
CID 56876211
(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 123395480
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 110025342
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134799458
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 120989169

Frequently Asked Questions

What is the IUPAC name of CID 134797050?
The IUPAC name of CID 134797050 (CID 134797050) is not available.
What is the SMILES notation for CID 134797050?
The canonical SMILES for CID 134797050 is O=C(C1CCCN1[S+](=O)([O-])c1ccccc1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of CID 134797050?
The InChIKey is DCSKDQNFQOSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19-9-5-12-22(19)16-10-14-21(15-11-16)20(25)18-8-4-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2.
What are the key properties of CID 134797050?
CID 134797050 has a molecular weight of 405.52 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134797050 is sourced from PubChem (CID 134797050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).