1,2-bis(propylsulfonyl)indolizin-8-amine

C14H20N2O4S2 — CID 583347

IUPAC1,2-bis(propylsulfonyl)indolizin-8-amine
SMILESCCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC
InChIInChI=1S/C14H20N2O4S2/c1-3-8-21(17,18)12-10-16-7-5-6-11(15)13(16)14(12)22(19,20)9-4-2/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyCNQUKOJNLRDQBY-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.89
Rot. Bonds6

About 1,2-bis(propylsulfonyl)indolizin-8-amine

1,2-bis(propylsulfonyl)indolizin-8-amine (PubChem CID 583347) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1,2-bis(propylsulfonyl)indolizin-8-amine.

Molecular Properties

Compound Name1,2-bis(propylsulfonyl)indolizin-8-amine
PubChem CID583347
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name1,2-bis(propylsulfonyl)indolizin-8-amine
SMILESCCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC
InChIInChI=1S/C14H20N2O4S2/c1-3-8-21(17,18)12-10-16-7-5-6-11(15)13(16)14(12)22(19,20)9-4-2/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyCNQUKOJNLRDQBY-UHFFFAOYSA-N
XLogP1.89
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(propylsulfonyl)indolizin-8-amine?
The IUPAC name of 1,2-bis(propylsulfonyl)indolizin-8-amine (CID 583347) is 1,2-bis(propylsulfonyl)indolizin-8-amine.
What is the SMILES notation for 1,2-bis(propylsulfonyl)indolizin-8-amine?
The canonical SMILES for 1,2-bis(propylsulfonyl)indolizin-8-amine is CCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC.
What is the InChIKey of 1,2-bis(propylsulfonyl)indolizin-8-amine?
The InChIKey is CNQUKOJNLRDQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-3-8-21(17,18)12-10-16-7-5-6-11(15)13(16)14(12)22(19,20)9-4-2/h5-7,10H,3-4,8-9,15H2,1-2H3.
What are the key properties of 1,2-bis(propylsulfonyl)indolizin-8-amine?
1,2-bis(propylsulfonyl)indolizin-8-amine has a molecular weight of 344.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(propylsulfonyl)indolizin-8-amine is sourced from PubChem (CID 583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).