6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene

C8H15N3O2S — CID 172882114

IUPAC6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
SMILESCCCS(=O)(=O)N1CCC2(CC1)N=N2
InChIInChI=1S/C8H15N3O2S/c1-2-7-14(12,13)11-5-3-8(4-6-11)9-10-8/h2-7H2,1H3
InChIKeyLQPKTDFQGKRXOH-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.98
Rot. Bonds3

About 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene

6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene (PubChem CID 172882114) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
PubChem CID172882114
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
SMILESCCCS(=O)(=O)N1CCC2(CC1)N=N2
InChIInChI=1S/C8H15N3O2S/c1-2-7-14(12,13)11-5-3-8(4-6-11)9-10-8/h2-7H2,1H3
InChIKeyLQPKTDFQGKRXOH-UHFFFAOYSA-N
XLogP0.98
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
CID 171348273
3,3-dimethyl-9-propylsulfonyl-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecane
CID 171354931
4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine
CID 91065075
8-propylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 169490463
2-propylsulfonyl-2,8-diazaspiro[4.5]decane
CID 83723515
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
4-propylsulfonylpiperazine-1-carbaldehyde
CID 60643312
3-cyclopropyl-3-methyl-9-propylsulfonyl-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecane
CID 171358622
2-(3-propylsulfonyl-3-azaspiro[5.5]undecan-9-yl)acetic acid
CID 166273848
4-piperazin-1-yl-1-propylsulfonylpiperidine-4-carbonitrile
CID 150651451

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene?
The IUPAC name of 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene (CID 172882114) is 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene.
What is the SMILES notation for 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene?
The canonical SMILES for 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene is CCCS(=O)(=O)N1CCC2(CC1)N=N2.
What is the InChIKey of 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene?
The InChIKey is LQPKTDFQGKRXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-7-14(12,13)11-5-3-8(4-6-11)9-10-8/h2-7H2,1H3.
What are the key properties of 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene?
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene has a molecular weight of 217.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 172882114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).