CID 57337752

C23H40N2O10S4 — CID 57337752

IUPAC—
SMILESCC1(C)CC2(CC(C)(C)N1[O])S(=O)(=O)CC1(CS2(=O)=O)CS(=O)(=O)C2(CC(C)(C)N([O])C(C)(C)C2)S(=O)(=O)C1
InChIInChI=1S/C23H40N2O10S4/c1-17(2)9-22(10-18(3,4)24(17)26)36(28,29)13-21(14-37(22,30)31)15-38(32,33)23(39(34,35)16-21)11-19(5,6)25(27)20(7,8)12-23/h9-16H2,1-8H3
InChIKeyCXZSCBFVWLCBRF-UHFFFAOYSA-N
MW632.85 g/mol
LogP1.05
Rot. Bonds

About CID 57337752

CID 57337752 (PubChem CID 57337752) has the molecular formula C23H40N2O10S4 and a molecular weight of 632.85 g/mol.

Molecular Properties

Compound NameCID 57337752
PubChem CID57337752
Molecular FormulaC23H40N2O10S4
Molecular Weight632.85 g/mol
Exact Mass632.16
IUPAC Name—
SMILESCC1(C)CC2(CC(C)(C)N1[O])S(=O)(=O)CC1(CS2(=O)=O)CS(=O)(=O)C2(CC(C)(C)N([O])C(C)(C)C2)S(=O)(=O)C1
InChIInChI=1S/C23H40N2O10S4/c1-17(2)9-22(10-18(3,4)24(17)26)36(28,29)13-21(14-37(22,30)31)15-38(32,33)23(39(34,35)16-21)11-19(5,6)25(27)20(7,8)12-23/h9-16H2,1-8H3
InChIKeyCXZSCBFVWLCBRF-UHFFFAOYSA-N
XLogP1.05
TPSA182.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.85
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of CID 57337752?
The IUPAC name of CID 57337752 (CID 57337752) is not available.
What is the SMILES notation for CID 57337752?
The canonical SMILES for CID 57337752 is CC1(C)CC2(CC(C)(C)N1[O])S(=O)(=O)CC1(CS2(=O)=O)CS(=O)(=O)C2(CC(C)(C)N([O])C(C)(C)C2)S(=O)(=O)C1.
What is the InChIKey of CID 57337752?
The InChIKey is CXZSCBFVWLCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O10S4/c1-17(2)9-22(10-18(3,4)24(17)26)36(28,29)13-21(14-37(22,30)31)15-38(32,33)23(39(34,35)16-21)11-19(5,6)25(27)20(7,8)12-23/h9-16H2,1-8H3.
What are the key properties of CID 57337752?
CID 57337752 has a molecular weight of 632.85 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57337752 is sourced from PubChem (CID 57337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).