3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride

C9H17ClN2O2S2 — CID 67194366

IUPAC3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride
SMILESCCC(CCN)c1cnc(S(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H16N2O2S2.ClH/c1-3-7(4-5-10)8-6-11-9(14-8)15(2,12)13;/h6-7H,3-5,10H2,1-2H3;1H
InChIKeyAYZAYRAHGGHTJK-UHFFFAOYSA-N
MW284.83 g/mol
LogP1.81
Rot. Bonds5

About 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride

3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride (PubChem CID 67194366) has the molecular formula C9H17ClN2O2S2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride
PubChem CID67194366
Molecular FormulaC9H17ClN2O2S2
Molecular Weight284.83 g/mol
Exact Mass284.04
IUPAC Name3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride
SMILESCCC(CCN)c1cnc(S(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H16N2O2S2.ClH/c1-3-7(4-5-10)8-6-11-9(14-8)15(2,12)13;/h6-7H,3-5,10H2,1-2H3;1H
InChIKeyAYZAYRAHGGHTJK-UHFFFAOYSA-N
XLogP1.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride?
The IUPAC name of 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride (CID 67194366) is 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride is CCC(CCN)c1cnc(S(C)(=O)=O)s1.Cl.
What is the InChIKey of 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride?
The InChIKey is AYZAYRAHGGHTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2.ClH/c1-3-7(4-5-10)8-6-11-9(14-8)15(2,12)13;/h6-7H,3-5,10H2,1-2H3;1H.
What are the key properties of 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride?
3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonyl-1,3-thiazol-5-yl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 67194366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).