N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide

C15H31N3O2S — CID 58786377

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C15H31N3O2S/c1-3-18(21(2,19)20)13-15(14-7-5-4-6-8-14)17-11-9-16-10-12-17/h14-16H,3-13H2,1-2H3
InChIKeyOFCYIMPWTBTUHN-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.12
Rot. Bonds6

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide (PubChem CID 58786377) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
PubChem CID58786377
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C15H31N3O2S/c1-3-18(21(2,19)20)13-15(14-7-5-4-6-8-14)17-11-9-16-10-12-17/h14-16H,3-13H2,1-2H3
InChIKeyOFCYIMPWTBTUHN-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylcyclohexyl)-4-(methylsulfonyl)piperazine
CID 644497
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 119930356
1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 63305108
4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 79611010
4,4,4-trifluoro-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611581
N-ethyl-4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611844
N-[(3-ethylpiperidin-2-yl)methyl]-1,1-difluoromethanesulfonamide
CID 82735116
cis-(1R,3S)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99626247
trans-(1S,3S)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99626248
trans-(1R,3R)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99626250

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide (CID 58786377) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide is CCN(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The InChIKey is OFCYIMPWTBTUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-18(21(2,19)20)13-15(14-7-5-4-6-8-14)17-11-9-16-10-12-17/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 58786377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).