2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine

C14H30N2O2S — CID 103521462

IUPAC2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)8-12-19(17,18)16-10-6-13(7-11-16)5-9-15-4/h13,15H,5-12H2,1-4H3
InChIKeySRGISVJYDVVXDQ-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.07
Rot. Bonds6

About 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine

2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 103521462) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
PubChem CID103521462
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)8-12-19(17,18)16-10-6-13(7-11-16)5-9-15-4/h13,15H,5-12H2,1-4H3
InChIKeySRGISVJYDVVXDQ-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
3-chloro-1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine
CID 103521877
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
3-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]propanoic acid
CID 104937121
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine (CID 103521462) is 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1.
What is the InChIKey of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is SRGISVJYDVVXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-14(2,3)8-12-19(17,18)16-10-6-13(7-11-16)5-9-15-4/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine?
2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 290.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 103521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).