1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide

C16H24N2O2S — CID 61454005

IUPAC1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1cccc2c1CCNC2
InChIInChI=1S/C16H24N2O2S/c19-21(20,12-13-5-2-1-3-6-13)18-16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,13,17-18H,1-3,5-6,9-12H2
InChIKeyZCIHYJCLSUXJBK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.65
Rot. Bonds4

About 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide

1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide (PubChem CID 61454005) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
PubChem CID61454005
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1cccc2c1CCNC2
InChIInChI=1S/C16H24N2O2S/c19-21(20,12-13-5-2-1-3-6-13)18-16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,13,17-18H,1-3,5-6,9-12H2
InChIKeyZCIHYJCLSUXJBK-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide (CID 61454005) is 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide is O=S(=O)(CC1CCCCC1)Nc1cccc2c1CCNC2.
What is the InChIKey of 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide?
The InChIKey is ZCIHYJCLSUXJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20,12-13-5-2-1-3-6-13)18-16-8-4-7-14-11-17-10-9-15(14)16/h4,7-8,13,17-18H,1-3,5-6,9-12H2.
What are the key properties of 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide?
1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide is sourced from PubChem (CID 61454005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).