[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine

C12H19BrN2O2S2 — CID 79988988

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CC(CN)CCC2C)sc1Br
InChIInChI=1S/C12H19BrN2O2S2/c1-8-5-11(18-12(8)13)19(16,17)15-7-10(6-14)4-3-9(15)2/h5,9-10H,3-4,6-7,14H2,1-2H3
InChIKeyDQVRKYCEFFALPF-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.57
Rot. Bonds3

About [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine

[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine (PubChem CID 79988988) has the molecular formula C12H19BrN2O2S2 and a molecular weight of 367.33 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine
PubChem CID79988988
Molecular FormulaC12H19BrN2O2S2
Molecular Weight367.33 g/mol
Exact Mass366.01
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CC(CN)CCC2C)sc1Br
InChIInChI=1S/C12H19BrN2O2S2/c1-8-5-11(18-12(8)13)19(16,17)15-7-10(6-14)4-3-9(15)2/h5,9-10H,3-4,6-7,14H2,1-2H3
InChIKeyDQVRKYCEFFALPF-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine (CID 79988988) is [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine is Cc1cc(S(=O)(=O)N2CC(CN)CCC2C)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine?
The InChIKey is DQVRKYCEFFALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S2/c1-8-5-11(18-12(8)13)19(16,17)15-7-10(6-14)4-3-9(15)2/h5,9-10H,3-4,6-7,14H2,1-2H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine?
[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine has a molecular weight of 367.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 79988988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).