N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

C21H34N2O2S — CID 70939049

IUPACN-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c2c1CCCC2
InChIInChI=1S/C21H34N2O2S/c1-15(2)26(24,25)23-18-11-9-17(10-12-18)14-22-21-13-8-16(3)19-6-4-5-7-20(19)21/h8,13,15,17-18,22-23H,4-7,9-12,14H2,1-3H3
InChIKeyQQOYOSAIOSMSSU-UHFFFAOYSA-N
MW378.58 g/mol
LogP4.17
Rot. Bonds6

About N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939049) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939049
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC NameN-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c2c1CCCC2
InChIInChI=1S/C21H34N2O2S/c1-15(2)26(24,25)23-18-11-9-17(10-12-18)14-22-21-13-8-16(3)19-6-4-5-7-20(19)21/h8,13,15,17-18,22-23H,4-7,9-12,14H2,1-3H3
InChIKeyQQOYOSAIOSMSSU-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 70939049) is N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is Cc1ccc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)c2c1CCCC2.
What is the InChIKey of N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is QQOYOSAIOSMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-15(2)26(24,25)23-18-11-9-17(10-12-18)14-22-21-13-8-16(3)19-6-4-5-7-20(19)21/h8,13,15,17-18,22-23H,4-7,9-12,14H2,1-3H3.
What are the key properties of N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 378.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).