N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride

C12H27ClN2O2S — CID 126478381

IUPACN-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCN1C(C)(C)CC(N(C)S(C)(=O)=O)CC1(C)C.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-11(2)8-10(13(5)17(7,15)16)9-12(3,4)14(11)6;/h10H,8-9H2,1-7H3;1H
InChIKeyYKQWMSDKXGHFIU-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride

N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride (PubChem CID 126478381) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride
PubChem CID126478381
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC NameN-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCN1C(C)(C)CC(N(C)S(C)(=O)=O)CC1(C)C.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-11(2)8-10(13(5)17(7,15)16)9-12(3,4)14(11)6;/h10H,8-9H2,1-7H3;1H
InChIKeyYKQWMSDKXGHFIU-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride (CID 126478381) is N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride is CN1C(C)(C)CC(N(C)S(C)(=O)=O)CC1(C)C.Cl.
What is the InChIKey of N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is YKQWMSDKXGHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-11(2)8-10(13(5)17(7,15)16)9-12(3,4)14(11)6;/h10H,8-9H2,1-7H3;1H.
What are the key properties of N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 126478381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).