2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide

C16H34N2O2S — CID 70841754

IUPAC2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide
SMILESCCC(CC)(CC)CS(=O)(=O)N(C)C1CCCCC1NC
InChIInChI=1S/C16H34N2O2S/c1-6-16(7-2,8-3)13-21(19,20)18(5)15-12-10-9-11-14(15)17-4/h14-15,17H,6-13H2,1-5H3
InChIKeyLYBRFIVZGMHLFF-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.99
Rot. Bonds8

About 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide

2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide (PubChem CID 70841754) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide
PubChem CID70841754
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide
SMILESCCC(CC)(CC)CS(=O)(=O)N(C)C1CCCCC1NC
InChIInChI=1S/C16H34N2O2S/c1-6-16(7-2,8-3)13-21(19,20)18(5)15-12-10-9-11-14(15)17-4/h14-15,17H,6-13H2,1-5H3
InChIKeyLYBRFIVZGMHLFF-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide?
The IUPAC name of 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide (CID 70841754) is 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide?
The canonical SMILES for 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide is CCC(CC)(CC)CS(=O)(=O)N(C)C1CCCCC1NC.
What is the InChIKey of 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide?
The InChIKey is LYBRFIVZGMHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-6-16(7-2,8-3)13-21(19,20)18(5)15-12-10-9-11-14(15)17-4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide?
2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide has a molecular weight of 318.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-N-[2-(methylamino)cyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 70841754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).