3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine

C14H29N3O2S — CID 114507280

IUPAC3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)N2CCC(C)CC2)CCC1NC
InChIInChI=1S/C14H29N3O2S/c1-4-13-11-17(10-7-14(13)15-3)20(18,19)16-8-5-12(2)6-9-16/h12-15H,4-11H2,1-3H3
InChIKeyPBRFQRIFMBHUIG-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.28
Rot. Bonds4

About 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine

3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine (PubChem CID 114507280) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
PubChem CID114507280
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)N2CCC(C)CC2)CCC1NC
InChIInChI=1S/C14H29N3O2S/c1-4-13-11-17(10-7-14(13)15-3)20(18,19)16-8-5-12(2)6-9-16/h12-15H,4-11H2,1-3H3
InChIKeyPBRFQRIFMBHUIG-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507257
N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
CID 114507131
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960821
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507253
3-ethyl-N-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114507218
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852791
3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine
CID 114507903
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine (CID 114507280) is 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine is CCC1CN(S(=O)(=O)N2CCC(C)CC2)CCC1NC.
What is the InChIKey of 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine?
The InChIKey is PBRFQRIFMBHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-4-13-11-17(10-7-14(13)15-3)20(18,19)16-8-5-12(2)6-9-16/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine?
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 114507280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).