N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine

C14H29N3O2S — CID 63003105

IUPACN,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-4-5-14(15-2)13(10-12)11-16-6-8-17(9-7-16)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyGUOQODZDXFEZCX-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.59
Rot. Bonds4

About N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine

N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63003105) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63003105
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O2S/c1-12-4-5-14(15-2)13(10-12)11-16-6-8-17(9-7-16)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyGUOQODZDXFEZCX-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616797
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 62614705
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 79855030
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
CID 155367093
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 63002934
4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 62614453
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 63003105) is N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine is CNC1CCC(C)CC1CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is GUOQODZDXFEZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-4-5-14(15-2)13(10-12)11-16-6-8-17(9-7-16)20(3,18)19/h12-15H,4-11H2,1-3H3.
What are the key properties of N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine?
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63003105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).