1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide

C22H37N3O3S — CID 10454993

IUPAC1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C22H37N3O3S/c1-28-22-12-6-5-11-21(22)25-17-15-24(16-18-25)14-8-7-13-23-29(26,27)19-20-9-3-2-4-10-20/h5-6,11-12,20,23H,2-4,7-10,13-19H2,1H3
InChIKeyKPJQSYHKZZPARJ-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.10
Rot. Bonds10

About 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide

1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide (PubChem CID 10454993) has the molecular formula C22H37N3O3S and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide
PubChem CID10454993
Molecular FormulaC22H37N3O3S
Molecular Weight423.62 g/mol
Exact Mass423.26
IUPAC Name1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C22H37N3O3S/c1-28-22-12-6-5-11-21(22)25-17-15-24(16-18-25)14-8-7-13-23-29(26,27)19-20-9-3-2-4-10-20/h5-6,11-12,20,23H,2-4,7-10,13-19H2,1H3
InChIKeyKPJQSYHKZZPARJ-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide (CID 10454993) is 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide is COc1ccccc1N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide?
The InChIKey is KPJQSYHKZZPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3S/c1-28-22-12-6-5-11-21(22)25-17-15-24(16-18-25)14-8-7-13-23-29(26,27)19-20-9-3-2-4-10-20/h5-6,11-12,20,23H,2-4,7-10,13-19H2,1H3.
What are the key properties of 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide?
1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide has a molecular weight of 423.62 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]methanesulfonamide is sourced from PubChem (CID 10454993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).