N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide

C12H25N3O2S — CID 59088740

IUPACN-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(N2CCNCC2)CCCCC1
InChIInChI=1S/C12H25N3O2S/c1-18(16,17)14-11-12(5-3-2-4-6-12)15-9-7-13-8-10-15/h13-14H,2-11H2,1H3
InChIKeyPRRRSTWUHITJRU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds4

About N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide

N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide (PubChem CID 59088740) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide
PubChem CID59088740
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(N2CCNCC2)CCCCC1
InChIInChI=1S/C12H25N3O2S/c1-18(16,17)14-11-12(5-3-2-4-6-12)15-9-7-13-8-10-15/h13-14H,2-11H2,1H3
InChIKeyPRRRSTWUHITJRU-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
CID 94197261
[4,4-Difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561921
1-(Trifluoromethylsulfonyl)-1,4-diazaspiro[5.5]undecane
CID 65527039
1-(Difluoromethylsulfonyl)-1,4-diazaspiro[5.5]undecane
CID 65529929
1-(4,4,4-Trifluorobutylsulfonyl)-1,4-diazaspiro[5.5]undecane
CID 83047394
N-[2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propyl]-2-methylpropan-2-amine
CID 107446636
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727
[1-[4-(Cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methanamine
CID 58561919
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 58780599
N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide
CID 58780675
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
CID 58786377

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide (CID 59088740) is N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1(N2CCNCC2)CCCCC1.
What is the InChIKey of N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is PRRRSTWUHITJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-18(16,17)14-11-12(5-3-2-4-6-12)15-9-7-13-8-10-15/h13-14H,2-11H2,1H3.
What are the key properties of N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide?
N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 59088740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).