N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide

C20H33N3O2S — CID 155770202

IUPACN-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCCC2N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O2S/c1-16-8-10-18(11-9-16)26(24,25)21-19-6-4-5-7-20(19)23-14-12-17(13-15-23)22(2)3/h8-11,17,19-21H,4-7,12-15H2,1-3H3/t19-,20?/m1/s1
InChIKeyPCAJXMJHMLZIAE-FIWHBWSRSA-N
MW379.57 g/mol
LogP2.61
Rot. Bonds5

About N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide

N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 155770202) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID155770202
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC NameN-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCCC2N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O2S/c1-16-8-10-18(11-9-16)26(24,25)21-19-6-4-5-7-20(19)23-14-12-17(13-15-23)22(2)3/h8-11,17,19-21H,4-7,12-15H2,1-3H3/t19-,20?/m1/s1
InChIKeyPCAJXMJHMLZIAE-FIWHBWSRSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide (CID 155770202) is N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC2N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is PCAJXMJHMLZIAE-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-16-8-10-18(11-9-16)26(24,25)21-19-6-4-5-7-20(19)23-14-12-17(13-15-23)22(2)3/h8-11,17,19-21H,4-7,12-15H2,1-3H3/t19-,20?/m1/s1.
What are the key properties of N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide?
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 379.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155770202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).