1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine

C12H21N3O2S2 — CID 167966613

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC(N(C)C)C2)s1
InChIInChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)13-9)19(16,17)15-7-5-6-11(8-15)14(3)4/h11H,5-8H2,1-4H3
InChIKeyBJUWNIANARWUTD-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.47
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine

1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 167966613) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine
PubChem CID167966613
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC(N(C)C)C2)s1
InChIInChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)13-9)19(16,17)15-7-5-6-11(8-15)14(3)4/h11H,5-8H2,1-4H3
InChIKeyBJUWNIANARWUTD-UHFFFAOYSA-N
XLogP1.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine (CID 167966613) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine is Cc1nc(C)c(S(=O)(=O)N2CCCC(N(C)C)C2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is BJUWNIANARWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-9-12(18-10(2)13-9)19(16,17)15-7-5-6-11(8-15)14(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 167966613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).