N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine

C13H27N3O2S — CID 114507131

IUPACN,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)N2CCCC2)CC1CC
InChIInChI=1S/C13H27N3O2S/c1-3-12-11-16(10-7-13(12)14-4-2)19(17,18)15-8-5-6-9-15/h12-14H,3-11H2,1-2H3
InChIKeyGYUIMDVROUGSLR-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.04
Rot. Bonds5

About N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine

N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine (PubChem CID 114507131) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
PubChem CID114507131
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)N2CCCC2)CC1CC
InChIInChI=1S/C13H27N3O2S/c1-3-12-11-16(10-7-13(12)14-4-2)19(17,18)15-8-5-6-9-15/h12-14H,3-11H2,1-2H3
InChIKeyGYUIMDVROUGSLR-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 114507143
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507280
N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 114507103
3-ethyl-N-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507257
1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
CID 60820122
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
CID 114499016
N-ethyl-3-methyl-1-morpholin-4-ylsulfonylpiperidin-4-amine
CID 114498907
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
CID 114507138
N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 114507432
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 114506784
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine?
The IUPAC name of N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine (CID 114507131) is N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)N2CCCC2)CC1CC.
What is the InChIKey of N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine?
The InChIKey is GYUIMDVROUGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-12-11-16(10-7-13(12)14-4-2)19(17,18)15-8-5-6-9-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine?
N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine has a molecular weight of 289.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 114507131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).