2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide

C13H28N2O2S — CID 106630208

IUPAC2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CC1CCCCN1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)15(18(16,17)13(3,4)5)10-12-8-6-7-9-14-12/h11-12,14H,6-10H2,1-5H3
InChIKeyMLMKLMZBSCMGJG-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide

2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 106630208) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
PubChem CID106630208
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CC1CCCCN1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)15(18(16,17)13(3,4)5)10-12-8-6-7-9-14-12/h11-12,14H,6-10H2,1-5H3
InChIKeyMLMKLMZBSCMGJG-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
N-(diethylsulfamoyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106630194
N-(2-tert-butylsulfonylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106728112
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630591
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide (CID 106630208) is 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide is CC(C)N(CC1CCCCN1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is MLMKLMZBSCMGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)15(18(16,17)13(3,4)5)10-12-8-6-7-9-14-12/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide?
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 106630208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).