N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

C15H31N3O2S — CID 62994122

IUPACN,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H31N3O2S/c1-4-13-6-7-14(16-5-2)15(12-13)17-8-10-18(11-9-17)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyVETSEQJVGXDLLC-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.12
Rot. Bonds5

About N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine

N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 62994122) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID62994122
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H31N3O2S/c1-4-13-6-7-14(16-5-2)15(12-13)17-8-10-18(11-9-17)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyVETSEQJVGXDLLC-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
N,4-diethyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63469848
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532122
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,4-diethylcyclohexan-1-amine
CID 63013027
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
CID 64674406
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
CID 113335646

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine (CID 62994122) is N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is CCNC1CCC(CC)CC1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is VETSEQJVGXDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-13-6-7-14(16-5-2)15(12-13)17-8-10-18(11-9-17)21(3,19)20/h13-16H,4-12H2,1-3H3.
What are the key properties of N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine?
N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 62994122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).