N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide

C12H26N2O2S — CID 71975842

IUPACN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCC(C)CCN1CCC(CNS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)4-7-14-8-5-12(6-9-14)10-13-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyHUWDMGBCUYABRN-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.29
Rot. Bonds6

About N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide

N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 71975842) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID71975842
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESCC(C)CCN1CCC(CNS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)4-7-14-8-5-12(6-9-14)10-13-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyHUWDMGBCUYABRN-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide (CID 71975842) is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide is CC(C)CCN1CCC(CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is HUWDMGBCUYABRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)4-7-14-8-5-12(6-9-14)10-13-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71975842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).