1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine

C12H25N3O2S — CID 113360742

IUPAC1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C12H25N3O2S/c1-10-5-3-4-7-15(10)18(16,17)14-8-6-12(9-14)11(2)13/h10-12H,3-9,13H2,1-2H3
InChIKeyQEQDNUOVJFBFHR-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.77
Rot. Bonds3

About 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine

1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine (PubChem CID 113360742) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
PubChem CID113360742
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C12H25N3O2S/c1-10-5-3-4-7-15(10)18(16,17)14-8-6-12(9-14)11(2)13/h10-12H,3-9,13H2,1-2H3
InChIKeyQEQDNUOVJFBFHR-UHFFFAOYSA-N
XLogP0.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63854362
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735
1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976134
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
CID 62075705
(3aS,6aS)-5-(2-methylpiperidin-1-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602956
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine (CID 113360742) is 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)N2CCCCC2C)C1.
What is the InChIKey of 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The InChIKey is QEQDNUOVJFBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-5-3-4-7-15(10)18(16,17)14-8-6-12(9-14)11(2)13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine?
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 113360742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).