N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride

C13H29Cl2N3O2S — CID 69430196

IUPACN-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)NCCN1CCNCC1C1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O2S.2ClH/c1-19(17,18)15-8-10-16-9-7-14-11-13(16)12-5-3-2-4-6-12;;/h12-15H,2-11H2,1H3;2*1H
InChIKeyZPNISCKCPUCHSP-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride

N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride (PubChem CID 69430196) has the molecular formula C13H29Cl2N3O2S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
PubChem CID69430196
Molecular FormulaC13H29Cl2N3O2S
Molecular Weight362.37 g/mol
Exact Mass361.14
IUPAC NameN-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)NCCN1CCNCC1C1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O2S.2ClH/c1-19(17,18)15-8-10-16-9-7-14-11-13(16)12-5-3-2-4-6-12;;/h12-15H,2-11H2,1H3;2*1H
InChIKeyZPNISCKCPUCHSP-UHFFFAOYSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride (CID 69430196) is N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride is CS(=O)(=O)NCCN1CCNCC1C1CCCCC1.Cl.Cl.
What is the InChIKey of N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride?
The InChIKey is ZPNISCKCPUCHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.2ClH/c1-19(17,18)15-8-10-16-9-7-14-11-13(16)12-5-3-2-4-6-12;;/h12-15H,2-11H2,1H3;2*1H.
What are the key properties of N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride?
N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride has a molecular weight of 362.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 69430196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).