1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine

C19H32N4O3S — CID 23161068

IUPAC1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine
SMILESCOc1cccc(C2(CNS(N)(=O)=O)CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-22-10-12-23(13-11-22)17-6-8-19(9-7-17,15-21-27(20,24)25)16-4-3-5-18(14-16)26-2/h3-5,14,17,21H,6-13,15H2,1-2H3,(H2,20,24,25)
InChIKeyBVTDZTDOVXOFON-UHFFFAOYSA-N
MW396.56 g/mol
LogP0.92
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine

1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine (PubChem CID 23161068) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine
PubChem CID23161068
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine
SMILESCOc1cccc(C2(CNS(N)(=O)=O)CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-22-10-12-23(13-11-22)17-6-8-19(9-7-17,15-21-27(20,24)25)16-4-3-5-18(14-16)26-2/h3-5,14,17,21H,6-13,15H2,1-2H3,(H2,20,24,25)
InChIKeyBVTDZTDOVXOFON-UHFFFAOYSA-N
XLogP0.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)cyclohexyl]methylamino] N-sulfonylcarbamate
CID 87889727
1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene
CID 23160987
1-methoxy-3-[4-[1-(4-phenylphenyl)ethylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene;hydrochloride
CID 23161115
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 136586418
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 23161016
[1-(3-methoxyphenyl)-4-[1-(4-phenylphenyl)ethylamino]cyclohexyl]methylsulfamoylcarbamic acid
CID 69227474

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine (CID 23161068) is 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine is COc1cccc(C2(CNS(N)(=O)=O)CCC(N3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine?
The InChIKey is BVTDZTDOVXOFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-22-10-12-23(13-11-22)17-6-8-19(9-7-17,15-21-27(20,24)25)16-4-3-5-18(14-16)26-2/h3-5,14,17,21H,6-13,15H2,1-2H3,(H2,20,24,25).
What are the key properties of 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine?
1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine has a molecular weight of 396.56 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-4-[(sulfamoylamino)methyl]cyclohexyl]-4-methylpiperazine is sourced from PubChem (CID 23161068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).