N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide

C14H29N3O2S — CID 64743714

IUPACN-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCN2CCNCC2)CC1C
InChIInChI=1S/C14H29N3O2S/c1-12-3-4-14(11-13(12)2)16-20(18,19)10-9-17-7-5-15-6-8-17/h12-16H,3-11H2,1-2H3
InChIKeyHZXUPOYRFZXFGS-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.64
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide

N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 64743714) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
PubChem CID64743714
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCN2CCNCC2)CC1C
InChIInChI=1S/C14H29N3O2S/c1-12-3-4-14(11-13(12)2)16-20(18,19)10-9-17-7-5-15-6-8-17/h12-16H,3-11H2,1-2H3
InChIKeyHZXUPOYRFZXFGS-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 107652071
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
N-(2,2-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 79878269
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
CID 64744385
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
2-piperazin-1-ylethanesulfonamide
CID 54595802
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide (CID 64743714) is N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide is CC1CCC(NS(=O)(=O)CCN2CCNCC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is HZXUPOYRFZXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-3-4-14(11-13(12)2)16-20(18,19)10-9-17-7-5-15-6-8-17/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide?
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 64743714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).