CID 162403759

C24H30NO6S2 — CID 162403759

IUPAC—
SMILESCCOC(=O)[C](CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30NO6S2/c1-3-31-24(26)21(18-32(27,28)22-7-5-4-6-8-22)12-11-20-15-16-25(17-20)33(29,30)23-13-9-19(2)10-14-23/h4-10,13-14,20H,3,11-12,15-18H2,1-2H3/t20-/m1/s1
InChIKeyPAQXBMCYVJLXID-HXUWFJFHSA-N
MW492.64 g/mol
LogP3.40
Rot. Bonds10

About CID 162403759

CID 162403759 (PubChem CID 162403759) has the molecular formula C24H30NO6S2 and a molecular weight of 492.64 g/mol.

Molecular Properties

Compound NameCID 162403759
PubChem CID162403759
Molecular FormulaC24H30NO6S2
Molecular Weight492.64 g/mol
Exact Mass492.15
IUPAC Name—
SMILESCCOC(=O)[C](CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30NO6S2/c1-3-31-24(26)21(18-32(27,28)22-7-5-4-6-8-22)12-11-20-15-16-25(17-20)33(29,30)23-13-9-19(2)10-14-23/h4-10,13-14,20H,3,11-12,15-18H2,1-2H3/t20-/m1/s1
InChIKeyPAQXBMCYVJLXID-HXUWFJFHSA-N
XLogP3.40
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
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N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
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ethyl (2R)-1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
CID 40836445
(3Z)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenylmethoxyiminopropan-2-one
CID 101007735
(3R)-3-[3-(1,3-dioxan-2-yl)propyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134948074
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl 4-[2-[(3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]-4-oxobutanoate
CID 9087133
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
ethyl 3-[2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethylcarbamoylamino]propanoate
CID 50822619

Frequently Asked Questions

What is the IUPAC name of CID 162403759?
The IUPAC name of CID 162403759 (CID 162403759) is not available.
What is the SMILES notation for CID 162403759?
The canonical SMILES for CID 162403759 is CCOC(=O)[C](CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of CID 162403759?
The InChIKey is PAQXBMCYVJLXID-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30NO6S2/c1-3-31-24(26)21(18-32(27,28)22-7-5-4-6-8-22)12-11-20-15-16-25(17-20)33(29,30)23-13-9-19(2)10-14-23/h4-10,13-14,20H,3,11-12,15-18H2,1-2H3/t20-/m1/s1.
What are the key properties of CID 162403759?
CID 162403759 has a molecular weight of 492.64 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162403759 is sourced from PubChem (CID 162403759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).