CID 140573632

C17H31F4N5O3S — CID 140573632

IUPAC—
SMILESC[S+](=O)([O-])N1CCC(NC2NC(OCC(F)(F)F)NC(C3CCC(F)CC3)N2)CC1
InChIInChI=1S/C17H31F4N5O3S/c1-30(27,28)26-8-6-13(7-9-26)22-15-23-14(11-2-4-12(18)5-3-11)24-16(25-15)29-10-17(19,20)21/h11-16,22-25H,2-10H2,1H3
InChIKeyOBERFFGZYDDTFT-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.00
Rot. Bonds6

About CID 140573632

CID 140573632 (PubChem CID 140573632) has the molecular formula C17H31F4N5O3S and a molecular weight of 461.53 g/mol.

Molecular Properties

Compound NameCID 140573632
PubChem CID140573632
Molecular FormulaC17H31F4N5O3S
Molecular Weight461.53 g/mol
Exact Mass461.21
IUPAC Name—
SMILESC[S+](=O)([O-])N1CCC(NC2NC(OCC(F)(F)F)NC(C3CCC(F)CC3)N2)CC1
InChIInChI=1S/C17H31F4N5O3S/c1-30(27,28)26-8-6-13(7-9-26)22-15-23-14(11-2-4-12(18)5-3-11)24-16(25-15)29-10-17(19,20)21/h11-16,22-25H,2-10H2,1H3
InChIKeyOBERFFGZYDDTFT-UHFFFAOYSA-N
XLogP1.00
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140573632?
The IUPAC name of CID 140573632 (CID 140573632) is not available.
What is the SMILES notation for CID 140573632?
The canonical SMILES for CID 140573632 is C[S+](=O)([O-])N1CCC(NC2NC(OCC(F)(F)F)NC(C3CCC(F)CC3)N2)CC1.
What is the InChIKey of CID 140573632?
The InChIKey is OBERFFGZYDDTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F4N5O3S/c1-30(27,28)26-8-6-13(7-9-26)22-15-23-14(11-2-4-12(18)5-3-11)24-16(25-15)29-10-17(19,20)21/h11-16,22-25H,2-10H2,1H3.
What are the key properties of CID 140573632?
CID 140573632 has a molecular weight of 461.53 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140573632 is sourced from PubChem (CID 140573632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).