5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C10H17N3O3S2 — CID 43605309

IUPAC5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)13-4-2-8(6-11)3-5-13/h8H,2-6,11H2,1H3,(H,12,14)
InChIKeyIFIWRQPOMQEHDX-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.10
Rot. Bonds3

About 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 43605309) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID43605309
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)13-4-2-8(6-11)3-5-13/h8H,2-6,11H2,1H3,(H,12,14)
InChIKeyIFIWRQPOMQEHDX-UHFFFAOYSA-N
XLogP0.10
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 43605309) is 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is IFIWRQPOMQEHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)13-4-2-8(6-11)3-5-13/h8H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 291.40 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43605309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).