1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide

C17H35N3O2S — CID 127364269

IUPAC1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)CC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C17H35N3O2S/c1-15(2)17(20-11-9-19(3)10-12-20)13-18-23(21,22)14-16-7-5-4-6-8-16/h15-18H,4-14H2,1-3H3
InChIKeyOPQJKFDCLMGWJI-UHFFFAOYSA-N
MW345.55 g/mol
LogP1.76
Rot. Bonds7

About 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide

1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide (PubChem CID 127364269) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
PubChem CID127364269
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC Name1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)CC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C17H35N3O2S/c1-15(2)17(20-11-9-19(3)10-12-20)13-18-23(21,22)14-16-7-5-4-6-8-16/h15-18H,4-14H2,1-3H3
InChIKeyOPQJKFDCLMGWJI-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide (CID 127364269) is 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide is CC(C)C(CNS(=O)(=O)CC1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide?
The InChIKey is OPQJKFDCLMGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-15(2)17(20-11-9-19(3)10-12-20)13-18-23(21,22)14-16-7-5-4-6-8-16/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide?
1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide has a molecular weight of 345.55 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide is sourced from PubChem (CID 127364269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).