5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

C15H23N3O2S — CID 104773733

IUPAC5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H23N3O2S/c1-17-9-4-10-18(12-11-17)21(19,20)15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3
InChIKeyRZNABHGXVXCRIN-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.37
Rot. Bonds2

About 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 104773733) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
PubChem CID104773733
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H23N3O2S/c1-17-9-4-10-18(12-11-17)21(19,20)15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3
InChIKeyRZNABHGXVXCRIN-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 ≤ 500309.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline (CID 104773733) is 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is CN1CCCN(S(=O)(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is RZNABHGXVXCRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17-9-4-10-18(12-11-17)21(19,20)15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3.
What are the key properties of 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline?
5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 309.43 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 5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104773733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).