CID 134810603

C18H26N2O4S — CID 134810603

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CCC3OCCN(C(C)C)C(=O)C3C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-13(2)20-10-11-24-17-8-9-19(12-16(17)18(20)21)25(22,23)15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyFHCZLXBMJAGYCX-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.86
Rot. Bonds3

About CID 134810603

CID 134810603 (PubChem CID 134810603) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol.

Molecular Properties

Compound NameCID 134810603
PubChem CID134810603
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CCC3OCCN(C(C)C)C(=O)C3C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-13(2)20-10-11-24-17-8-9-19(12-16(17)18(20)21)25(22,23)15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyFHCZLXBMJAGYCX-UHFFFAOYSA-N
XLogP1.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.86
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

(2,6-Dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
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N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 24819756
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 649897
(2S)-4-methyl-2-(5-methylidene-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazepin-2-yl)-1-morpholin-4-ylpentan-1-one
CID 24747391
1-[(5aR,9aS)-8-(4-methylphenyl)sulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97511610
4-{[(1S*,5R*)-6-(2-methoxyethyl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]sulfonyl}benzonitrile
CID 133125238
CID 134805913
CID 134805913
CID 134806220
CID 134806220
1-[4-(4-Methylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 7295613
3-[1-(4-Methylbenzenesulfonyl)piperidin-3-YL]-1-(morpholin-4-YL)propan-1-one
CID 91903729
CID 134794826
CID 134794826
CID 134796144
CID 134796144

Frequently Asked Questions

What is the IUPAC name of CID 134810603?
The IUPAC name of CID 134810603 (CID 134810603) is not available.
What is the SMILES notation for CID 134810603?
The canonical SMILES for CID 134810603 is Cc1ccc([S+](=O)([O-])N2CCC3OCCN(C(C)C)C(=O)C3C2)cc1.
What is the InChIKey of CID 134810603?
The InChIKey is FHCZLXBMJAGYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13(2)20-10-11-24-17-8-9-19(12-16(17)18(20)21)25(22,23)15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of CID 134810603?
CID 134810603 has a molecular weight of 366.48 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134810603 is sourced from PubChem (CID 134810603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).