1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine

C13H28N2O2S — CID 58297307

IUPAC1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
SMILESCC(C)(C)C(C)(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)13(4,5)14-11-7-9-15(10-8-11)18(6,16)17/h11,14H,7-10H2,1-6H3
InChIKeyWAKKFXDTWWIMCW-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.82
Rot. Bonds3

About 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine

1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine (PubChem CID 58297307) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
PubChem CID58297307
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
SMILESCC(C)(C)C(C)(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2,3)13(4,5)14-11-7-9-15(10-8-11)18(6,16)17/h11,14H,7-10H2,1-6H3
InChIKeyWAKKFXDTWWIMCW-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
CID 112738058
N-iodo-1-methylsulfonylpyrrolidin-3-amine
CID 163979341
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
1-methylsulfonylpiperidine-4-thiol
CID 130490648
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
CID 65044453

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine (CID 58297307) is 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine is CC(C)(C)C(C)(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine?
The InChIKey is WAKKFXDTWWIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2,3)13(4,5)14-11-7-9-15(10-8-11)18(6,16)17/h11,14H,7-10H2,1-6H3.
What are the key properties of 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine?
1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 58297307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).