[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine

C12H22N4O2S — CID 79372612

IUPAC[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C)C2CN)c1
InChIInChI=1S/C12H22N4O2S/c1-3-15-8-12(14-9-15)19(17,18)16-6-4-5-10(2)11(16)7-13/h8-11H,3-7,13H2,1-2H3
InChIKeyBPCSLSGMHIAGNN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.65
Rot. Bonds4

About [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine

[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 79372612) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID79372612
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C)C2CN)c1
InChIInChI=1S/C12H22N4O2S/c1-3-15-8-12(14-9-15)19(17,18)16-6-4-5-10(2)11(16)7-13/h8-11H,3-7,13H2,1-2H3
InChIKeyBPCSLSGMHIAGNN-UHFFFAOYSA-N
XLogP0.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 79372612) is [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine is CCn1cnc(S(=O)(=O)N2CCCC(C)C2CN)c1.
What is the InChIKey of [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is BPCSLSGMHIAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-15-8-12(14-9-15)19(17,18)16-6-4-5-10(2)11(16)7-13/h8-11H,3-7,13H2,1-2H3.
What are the key properties of [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 79372612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).