CID 158430443

C14H19NO3S — CID 158430443

IUPAC—
SMILESCCCCc1oc2ccc(C)cc2c1C.N=S(=O)=O
InChIInChI=1S/C14H18O.HNO2S/c1-4-5-6-13-11(3)12-9-10(2)7-8-14(12)15-13;1-4(2)3/h7-9H,4-6H2,1-3H3;1H
InChIKeyHBPAAOVEFCUQHT-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.02
Rot. Bonds3

About CID 158430443

CID 158430443 (PubChem CID 158430443) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol.

Molecular Properties

Compound NameCID 158430443
PubChem CID158430443
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name—
SMILESCCCCc1oc2ccc(C)cc2c1C.N=S(=O)=O
InChIInChI=1S/C14H18O.HNO2S/c1-4-5-6-13-11(3)12-9-10(2)7-8-14(12)15-13;1-4(2)3/h7-9H,4-6H2,1-3H3;1H
InChIKeyHBPAAOVEFCUQHT-UHFFFAOYSA-N
XLogP4.02
TPSA71.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 158430443?
The IUPAC name of CID 158430443 (CID 158430443) is not available.
What is the SMILES notation for CID 158430443?
The canonical SMILES for CID 158430443 is CCCCc1oc2ccc(C)cc2c1C.N=S(=O)=O.
What is the InChIKey of CID 158430443?
The InChIKey is HBPAAOVEFCUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.HNO2S/c1-4-5-6-13-11(3)12-9-10(2)7-8-14(12)15-13;1-4(2)3/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of CID 158430443?
CID 158430443 has a molecular weight of 281.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158430443 is sourced from PubChem (CID 158430443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).