N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine

C13H27N3O2S — CID 63877744

IUPACN-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h13-14H,2-12H2,1H3
InChIKeyIRRHJGUOIDDAKG-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.18
Rot. Bonds5

About N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine

N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine (PubChem CID 63877744) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
PubChem CID63877744
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h13-14H,2-12H2,1H3
InChIKeyIRRHJGUOIDDAKG-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 114414172
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine (CID 63877744) is N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine is CCNCC1CCCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is IRRHJGUOIDDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h13-14H,2-12H2,1H3.
What are the key properties of N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine?
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63877744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).