1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine

C18H30N4O2S — CID 112502794

IUPAC1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H30N4O2S/c1-20(2)25(23,24)19-16-8-10-18(11-9-16)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3
InChIKeyUMYCSZAXNOKQBI-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.36
Rot. Bonds5

About 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine

1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine (PubChem CID 112502794) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
PubChem CID112502794
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H30N4O2S/c1-20(2)25(23,24)19-16-8-10-18(11-9-16)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3
InChIKeyUMYCSZAXNOKQBI-UHFFFAOYSA-N
XLogP2.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
CID 110621030
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110288099
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630293

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine (CID 112502794) is 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine is CN(C)S(=O)(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine?
The InChIKey is UMYCSZAXNOKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-20(2)25(23,24)19-16-8-10-18(11-9-16)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine?
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine has a molecular weight of 366.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine is sourced from PubChem (CID 112502794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).