N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide

C16H33N3O2S — CID 58780599

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O2S/c1-14(2)19(22(3,20)21)13-16(15-7-5-4-6-8-15)18-11-9-17-10-12-18/h14-17H,4-13H2,1-3H3
InChIKeyVRTNRZRTJLDMTP-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.51
Rot. Bonds6

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 58780599) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID58780599
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O2S/c1-14(2)19(22(3,20)21)13-16(15-7-5-4-6-8-15)18-11-9-17-10-12-18/h14-17H,4-13H2,1-3H3
InChIKeyVRTNRZRTJLDMTP-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide (CID 58780599) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC(C1CCCCC1)N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is VRTNRZRTJLDMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-14(2)19(22(3,20)21)13-16(15-7-5-4-6-8-15)18-11-9-17-10-12-18/h14-17H,4-13H2,1-3H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 331.53 g/mol, XLogP of 1.51, 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-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 58780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).