6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

C15H23N3O2S — CID 28940779

IUPAC6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H23N3O2S/c1-17-8-3-9-18(11-10-17)21(19,20)14-5-6-15-13(12-14)4-2-7-16-15/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyZZLXOIGCBKSCEH-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.37
Rot. Bonds2

About 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 28940779) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
PubChem CID28940779
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H23N3O2S/c1-17-8-3-9-18(11-10-17)21(19,20)14-5-6-15-13(12-14)4-2-7-16-15/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyZZLXOIGCBKSCEH-UHFFFAOYSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 106315307
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 104773733
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (CID 28940779) is 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZZLXOIGCBKSCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17-8-3-9-18(11-10-17)21(19,20)14-5-6-15-13(12-14)4-2-7-16-15/h5-6,12,16H,2-4,7-11H2,1H3.
What are the key properties of 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 309.44 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28940779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).