N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide

C11H24N2O2S — CID 58877791

IUPACN-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)13-8-6-10(7-9-13)12(4)16(5,14)15/h10H,6-9H2,1-5H3
InChIKeyPJYMWZCBVVAMPA-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide

N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide (PubChem CID 58877791) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide
PubChem CID58877791
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)13-8-6-10(7-9-13)12(4)16(5,14)15/h10H,6-9H2,1-5H3
InChIKeyPJYMWZCBVVAMPA-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide (CID 58877791) is N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide is CN(C1CCN(C(C)(C)C)CC1)S(C)(=O)=O.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide?
The InChIKey is PJYMWZCBVVAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)13-8-6-10(7-9-13)12(4)16(5,14)15/h10H,6-9H2,1-5H3.
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide?
N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58877791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).