[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine

C17H27N3O2S — CID 154513056

IUPAC[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H27N3O2S/c18-14-15-6-8-17(9-7-15)23(21,22)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14,18H2
InChIKeyRYPJECQAMWQBJK-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.78
Rot. Bonds4

About [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine

[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine (PubChem CID 154513056) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
PubChem CID154513056
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H27N3O2S/c18-14-15-6-8-17(9-7-15)23(21,22)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14,18H2
InChIKeyRYPJECQAMWQBJK-UHFFFAOYSA-N
XLogP1.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
5-(4-cyclopentylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62369821
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
CID 62777478

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine (CID 154513056) is [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine is NCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is RYPJECQAMWQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c18-14-15-6-8-17(9-7-15)23(21,22)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14,18H2.
What are the key properties of [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine?
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 337.49 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 154513056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).