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

C12H22N4O2S — CID 114960889

IUPAC[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(S(=O)(=O)N2CCC(C)C(CN)C2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-9-4-5-16(7-11(9)6-13)19(17,18)12-8-15(3)10(2)14-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyKVLXRPOSCPUWSU-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.33
Rot. Bonds3

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

[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960889) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
PubChem CID114960889
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(S(=O)(=O)N2CCC(C)C(CN)C2)cn1C
InChIInChI=1S/C12H22N4O2S/c1-9-4-5-16(7-11(9)6-13)19(17,18)12-8-15(3)10(2)14-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyKVLXRPOSCPUWSU-UHFFFAOYSA-N
XLogP0.33
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine (CID 114960889) is [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine is Cc1nc(S(=O)(=O)N2CCC(C)C(CN)C2)cn1C.
What is the InChIKey of [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The InChIKey is KVLXRPOSCPUWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-4-5-16(7-11(9)6-13)19(17,18)12-8-15(3)10(2)14-12/h8-9,11H,4-7,13H2,1-3H3.
What are the key properties of [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).