N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine

C13H28N2O2S — CID 103902206

IUPACN-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11-10-15(5)8-6-12(11)14-7-9-18(16,17)13(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyHLYMKVWEUHHABK-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds4

About N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine

N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 103902206) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID103902206
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-11-10-15(5)8-6-12(11)14-7-9-18(16,17)13(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyHLYMKVWEUHHABK-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
1-(2-Methylpropanesulfonyl)piperidin-4-amine
CID 64479327
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
CID 95331031
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
3-[[3-(Aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
CID 123411945
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873
N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852378
N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65096894

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine (CID 103902206) is N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is HLYMKVWEUHHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11-10-15(5)8-6-12(11)14-7-9-18(16,17)13(2,3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine?
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 103902206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).