5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

C16H24N2O2S — CID 104773901

IUPAC5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCCCN1S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H24N2O2S/c1-13-7-3-2-4-12-18(13)21(19,20)16-10-5-9-15-14(16)8-6-11-17-15/h5,9-10,13,17H,2-4,6-8,11-12H2,1H3
InChIKeyHNOIGVYHQIVDKY-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.00
Rot. Bonds2

About 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 104773901) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID104773901
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCCCN1S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H24N2O2S/c1-13-7-3-2-4-12-18(13)21(19,20)16-10-5-9-15-14(16)8-6-11-17-15/h5,9-10,13,17H,2-4,6-8,11-12H2,1H3
InChIKeyHNOIGVYHQIVDKY-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
1-chloro-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline;methylcyclohexane
CID 159397606
N-methylmethanamine;1-methyl-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline
CID 159404328
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773905

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 104773901) is 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is CC1CCCCCN1S(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HNOIGVYHQIVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-7-3-2-4-12-18(13)21(19,20)16-10-5-9-15-14(16)8-6-11-17-15/h5,9-10,13,17H,2-4,6-8,11-12H2,1H3.
What are the key properties of 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 308.45 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104773901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).