N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide

C14H29N3O2S — CID 58786445

IUPACN-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)16-12-14(17-9-7-15-8-10-17)11-13-5-3-2-4-6-13/h13-16H,2-12H2,1H3
InChIKeyYSNIMBUHFJXXLP-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds6

About N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide

N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 58786445) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID58786445
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)16-12-14(17-9-7-15-8-10-17)11-13-5-3-2-4-6-13/h13-16H,2-12H2,1H3
InChIKeyYSNIMBUHFJXXLP-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine
CID 58786533
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120876969
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
N-(2-cyclohexyl-2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 69430799
(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
CID 158866728
N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
CID 110403684
cyclohexyl(piperazin-1-yl)methanamine
CID 116939842
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
N-(1-cyclohexylethyl)piperazine-1-sulfonamide
CID 62407590
N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
CID 69430196

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide (CID 58786445) is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)NCC(CC1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is YSNIMBUHFJXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-20(18,19)16-12-14(17-9-7-15-8-10-17)11-13-5-3-2-4-6-13/h13-16H,2-12H2,1H3.
What are the key properties of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide?
N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 58786445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).