N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide

C12H26N2O2S — CID 54972194

IUPACN-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)6-9-14(3)17(15,16)10-12-4-7-13-8-5-12/h11-13H,4-10H2,1-3H3
InChIKeyYOAFRNSFGVSFKV-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.29
Rot. Bonds6

About N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide

N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54972194) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID54972194
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)6-9-14(3)17(15,16)10-12-4-7-13-8-5-12/h11-13H,4-10H2,1-3H3
InChIKeyYOAFRNSFGVSFKV-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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Related Compounds

N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
1-cyclopropyl-N-methyl-N-piperidin-4-ylmethanesulfonamide;hydrochloride
CID 119998743
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
CID 79319252
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
CID 115160396
N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
CID 63700437

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide (CID 54972194) is N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide is CC(C)CCN(C)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is YOAFRNSFGVSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)6-9-14(3)17(15,16)10-12-4-7-13-8-5-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide?
N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide 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-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54972194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).